data_1wji_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 1wji _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 31' ' ' MET . 7.2 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' GLU . 19.0 t0 -98.12 94.44 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' ASP . 22.5 mm-40 -35.82 -54.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -45.13 -45.12 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -73.43 -36.17 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.418 ' CD2' ' HE2' ' A' ' 23' ' ' LYS . 5.3 tp -60.79 -64.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -45.5 -60.31 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -40.23 -39.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.462 HD13 ' CB ' ' A' ' 40' ' ' ALA . 46.4 mt -77.68 -49.17 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 p -47.9 -35.46 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -49.41 -32.49 11.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.466 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 47.5 mtm -88.39 26.1 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.38 73.33 0.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' SER . 35.2 m-85 -138.04 106.89 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' PHE . 73.1 p -36.63 126.64 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HE2' ' CD2' ' A' ' 13' ' ' LEU . 52.4 tttm -47.87 -40.34 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.44 -39.18 93.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.2 -57.2 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -60.88 -39.62 89.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -56.18 -66.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -51.09 -57.02 9.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.43 -62.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 35' ' ' ASN . 8.2 mt -46.01 -49.2 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.468 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 14.8 mtm -61.94 -34.47 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.64 -41.17 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 2.9 m-80 -92.29 28.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.31 65.89 3.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' LEU . 13.8 m120 41.58 43.26 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 30.1 m-20 -87.67 105.13 17.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.8 tp -50.84 -50.72 56.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.5 mt-10 -71.93 -67.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.441 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.73 -40.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' CB ' HD13 ' A' ' 16' ' ' ILE . . . -45.83 -66.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD1' ' HE2' ' A' ' 19' ' ' MET . 11.0 mt -49.33 -57.03 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 11.2 m-80 -35.22 -53.72 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.84 -55.28 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -50.65 -30.13 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' THR . 19.0 mt -85.06 -65.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.434 ' CG1' ' HG3' ' A' ' 27' ' ' ARG . 5.5 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.801 0.334 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' GLU . 41.0 t0 -79.11 94.82 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ASP . 5.6 mt-10 -36.41 -55.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -44.05 -44.12 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -78.17 -38.48 43.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.55 -56.76 17.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -55.01 -59.25 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.448 ' CD2' HD11 ' A' ' 37' ' ' LEU . 65.9 t60 -38.53 -33.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.45 HD13 ' CB ' ' A' ' 40' ' ' ALA . 59.0 mt -82.06 -58.95 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.7 p -44.35 -28.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.75 -47.09 87.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.477 ' CE ' ' CD1' ' A' ' 41' ' ' LEU . 28.8 mtm -57.79 -24.97 59.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.5 63.44 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -134.59 153.33 52.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.9 m -73.13 120.37 18.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' SER . 42.6 tttm -37.32 -47.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.72 -51.08 70.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.13 -51.16 65.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 m -60.41 -51.38 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HG3' ' CG1' ' A' ' 8' ' ' VAL . 34.0 ttp85 -45.78 -57.05 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -59.83 -54.86 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.33 -60.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.425 ' CD2' ' HB3' ' A' ' 40' ' ' ALA . 9.2 mt -56.05 -52.85 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.1 mmm -52.51 -22.84 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -89.49 -30.54 18.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 2.0 m-80 -100.77 30.76 3.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.45 51.84 48.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 48.98 46.76 22.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 65.9 m-20 -87.88 106.4 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 15' ' ' HIS . 46.5 tp -48.96 -54.08 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 5.0 mt-10 -74.17 -67.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.45 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.7 -43.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.45 ' CB ' HD13 ' A' ' 16' ' ' ILE . . . -42.2 -65.99 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CD1' ' CE ' ' A' ' 19' ' ' MET . 5.8 mt -49.96 -58.26 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.5 m-80 -34.42 -54.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.25 -43.73 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' LEU . 18.0 mt -61.67 -35.24 77.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' THR . 11.1 mt -82.97 -66.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LEU . 11.7 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 30' ' ' LEU . 8.0 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -98.41 97.91 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -40.0 -52.91 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -45.75 -45.76 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.82 -37.2 64.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 tp -60.53 -60.75 3.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -46.97 -56.3 6.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -41.24 -37.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.8 mt -79.79 -60.61 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.9 p -37.77 -35.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -53.83 -46.69 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.0 mtt -56.66 -23.95 45.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.99 57.82 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 37.3 m-85 -127.49 140.3 52.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -61.59 130.83 47.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.07 -36.48 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.65 -42.12 64.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -49.75 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 m -69.93 -53.77 16.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -49.7 -63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -50.68 -46.88 58.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.15 -67.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.457 HD13 ' CG2' ' A' ' 8' ' ' VAL . 10.2 mt -41.83 -50.68 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.7 mtp -52.61 -36.01 55.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -87.71 -17.21 32.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 33' ' ' ASN . 1.8 m-80 -106.5 30.89 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.76 50.09 26.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.429 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 m120 49.31 44.3 23.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -89.77 105.75 18.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.2 tp -50.57 -50.86 52.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 3.4 mt-10 -71.67 -68.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.69 -44.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.91 -67.36 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 44' ' ' LEU . 9.3 mt -48.78 -57.54 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.3 m-80 -34.52 -57.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.01 -39.95 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 11.8 mt -72.05 -24.39 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 mt -86.1 -68.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 7.6 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.801 0.334 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -92.38 95.64 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -41.23 -51.27 3.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -46.77 -44.52 19.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.91 -42.0 58.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tp -50.56 -57.71 7.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' HIS . 13.7 ttpt -47.03 -60.17 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' LYS . 78.5 t60 -35.56 -39.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.45 HD12 ' CB ' ' A' ' 40' ' ' ALA . 51.2 mt -78.42 -59.06 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 p -39.69 -40.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -50.78 -43.43 58.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.1 mtt -59.15 -25.35 63.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.48 41.57 0.79 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -112.52 144.24 42.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -61.45 125.69 24.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -48.38 -38.62 19.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -65.95 -45.17 82.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.438 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . . . -65.96 -49.07 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -63.99 -40.66 96.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -59.45 -57.29 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -55.5 -59.23 5.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.14 -63.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 35' ' ' ASN . 9.6 mt -42.96 -49.67 5.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.6 mtp -60.38 -38.2 83.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.91 -38.2 76.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 3.1 m-80 -95.61 27.22 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.78 67.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.0 m120 39.43 41.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 13.6 m-20 -87.34 99.0 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.7 tp -47.67 -50.79 23.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 3.9 mt-10 -70.76 -67.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.88 -37.96 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.45 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -48.22 -65.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.46 -53.75 21.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 10.5 m-80 -37.94 -58.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.7 t -59.16 -53.64 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.438 ' CD2' ' HB2' ' A' ' 25' ' ' ALA . 16.1 mt -49.9 -34.73 21.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 46' ' ' THR . 32.7 mt -79.44 -64.01 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' LEU . 33.0 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.464 ' CG2' HD11 ' A' ' 30' ' ' LEU . 5.7 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.863 0.364 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -99.24 98.08 9.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -38.79 -55.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -42.92 -45.04 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.86 57.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.78 -54.96 41.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' HIS . 5.7 tptm -57.2 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' LYS . 62.9 t60 -34.4 -41.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.469 HD13 ' CB ' ' A' ' 40' ' ' ALA . 89.2 mt -72.64 -48.77 44.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.426 HG23 ' CE ' ' A' ' 23' ' ' LYS . 77.1 p -53.65 -24.75 15.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.87 -20.55 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 39.8 mtm -96.46 19.1 12.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.56 66.46 2.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE2' HD23 ' A' ' 41' ' ' LEU . 26.1 m-85 -132.04 119.38 20.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' PHE . 4.1 m -37.52 122.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' CE ' HG23 ' A' ' 17' ' ' THR . 0.5 OUTLIER -39.82 -43.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.74 -44.16 57.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.44 14.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ARG . 12.4 t -66.38 -58.79 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 26.8 ttt180 -38.3 -65.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -47.12 -64.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -39.88 -59.89 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.464 HD11 ' CG2' ' A' ' 8' ' ' VAL . 7.6 mt -45.03 -52.23 9.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.2 mtp -57.05 -38.13 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.45 -45.69 75.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -79.8 -13.98 59.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.07 58.29 1.6 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 m120 58.05 26.85 14.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.41 ' CG ' ' HB3' ' A' ' 39' ' ' ALA . 3.2 t-20 -75.11 110.86 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.29 -49.97 67.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 14.4 mt-10 -73.2 -67.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.46 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -40.37 -39.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' CB ' HD13 ' A' ' 16' ' ' ILE . . . -42.12 -67.99 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 HD23 ' CE2' ' A' ' 21' ' ' PHE . 6.8 mt -48.54 -55.56 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.2 m-80 -36.88 -52.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.4 t -64.08 -49.57 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mt -62.39 -20.53 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.48 -65.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.453 ' CG2' HD12 ' A' ' 30' ' ' LEU . 12.0 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 12' ' ' ALA . 26.4 t70 -96.05 94.8 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ASP . 17.6 mt-10 -34.45 -54.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -46.37 -44.86 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -73.56 -31.25 63.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 tp -65.84 -62.66 1.38 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.85 -55.5 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -42.19 -36.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.462 HD11 ' CB ' ' A' ' 40' ' ' ALA . 63.0 mt -79.04 -47.07 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -55.07 -25.58 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.88 -13.9 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.457 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 17.0 mtm -103.5 23.04 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.16 57.87 5.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -129.41 118.79 22.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -37.97 132.77 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -54.45 -14.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.38 -43.82 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.18 -46.32 62.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.4 m -75.37 -50.02 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -45.34 -59.98 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -52.15 -58.8 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.92 -58.04 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.453 HD12 ' CG2' ' A' ' 8' ' ' VAL . 10.8 mt -45.7 -49.37 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 28.5 mtp -58.91 -31.31 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -77.78 -43.84 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -79.4 -13.7 59.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.55 61.51 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.447 HD21 ' N ' ' A' ' 9' ' ' ASP . 5.4 m120 51.19 30.36 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -79.36 107.02 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.3 tp -55.32 -59.82 4.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.503 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.2 -67.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.469 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.7 -38.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' CB ' HD11 ' A' ' 16' ' ' ILE . . . -48.37 -65.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.0 mt -49.37 -53.94 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 10.1 m-80 -36.77 -54.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.53 -35.16 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 41' ' ' LEU . 10.2 mt -76.8 -23.9 52.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.47 -62.23 1.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 9' ' ' ASP . 3.1 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.814 0.34 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.452 ' N ' HG22 ' A' ' 8' ' ' VAL . 24.7 t0 -90.29 96.46 10.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -42.84 -50.43 5.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -46.56 -45.8 18.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.39 -39.76 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tp -58.58 -61.56 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -46.37 -49.22 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -47.14 -39.63 13.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' THR . 51.5 mt -77.3 -60.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ILE . 73.4 p -35.56 -35.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.5 mm-40 -51.45 -49.37 61.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.453 ' HE1' ' CD1' ' A' ' 41' ' ' LEU . 9.4 mtt -57.74 -29.46 64.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.22 65.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.559 ' CE2' HD23 ' A' ' 41' ' ' LEU . 40.4 m-85 -129.57 148.42 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.9 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -64.19 125.01 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.26 -45.98 12.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.41 -39.15 88.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.66 -57.19 10.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.1 m -64.13 -44.01 93.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.43 ' NH1' ' CG1' ' A' ' 8' ' ' VAL . 30.2 ttm-85 -56.42 -54.25 47.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -62.19 -51.04 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.63 -58.51 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -46.84 -53.82 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.9 mtp -52.15 -23.9 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -87.83 -29.24 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -98.55 17.38 19.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' C ' ' OD1' ' A' ' 35' ' ' ASN . . . 62.77 37.83 95.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER 72.97 38.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.46 ' ND2' ' HB1' ' A' ' 39' ' ' ALA . 30.6 t-20 -85.76 112.99 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.21 -48.74 74.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.0 mt-10 -69.09 -68.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.46 ' HB1' ' ND2' ' A' ' 36' ' ' ASN . . . -39.77 -43.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.56 -67.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.559 HD23 ' CE2' ' A' ' 21' ' ' PHE . 7.1 mt -48.95 -57.72 6.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.3 m-80 -35.01 -60.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.41 -52.69 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 9.9 mt -52.84 -32.27 43.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' THR . 19.2 mt -79.54 -62.45 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LEU . 14.4 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.436 HG22 ' N ' ' A' ' 9' ' ' ASP . 7.1 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.891 0.377 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.436 ' N ' HG22 ' A' ' 8' ' ' VAL . 25.7 t0 -90.63 100.47 13.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -44.98 -55.43 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' CA ' ' HE2' ' A' ' 11' ' ' LYS . 2.4 mmpt? -43.28 -48.04 6.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.31 -36.0 74.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 tp -59.51 -53.03 62.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -54.96 -55.17 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.424 ' CD2' HD12 ' A' ' 37' ' ' LEU . 59.1 t60 -41.53 -43.4 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' THR . 30.6 mt -74.05 -61.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' ILE . 72.4 p -35.9 -39.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -45.34 -48.57 13.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.461 ' CE ' HD13 ' A' ' 41' ' ' LEU . 30.3 mtt -56.66 -31.68 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.6 51.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 41' ' ' LEU . 60.7 m-85 -123.47 128.13 49.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -51.84 121.37 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -43.26 -39.88 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 11.0 pt-20 -63.81 -42.75 97.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -66.18 -55.47 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 m -58.08 -46.42 85.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -49.47 -63.41 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -52.71 -58.29 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.03 -63.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.6 mt -41.22 -52.67 3.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.409 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 6.8 mtt -48.68 -36.96 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.56 -37.88 65.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -92.23 30.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.17 49.0 31.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 56.77 40.8 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.449 ' CB ' ' HB1' ' A' ' 39' ' ' ALA . 11.1 m-20 -85.84 107.73 17.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 15' ' ' HIS . 53.5 tp -50.73 -53.1 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.4 mt-10 -69.73 -67.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.457 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.76 -41.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.13 -66.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 21' ' ' PHE . 8.7 mt -48.85 -55.94 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.0 m-80 -34.83 -62.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.4 t -51.45 -55.54 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -50.8 -38.86 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.8 mt -70.9 -59.68 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.808 0.337 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -90.46 99.93 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -46.85 -53.84 11.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -45.9 -44.69 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.77 -32.97 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tp -61.76 -62.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -48.0 -51.33 24.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -43.66 -38.02 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 40' ' ' ALA . 73.5 mt -77.17 -43.32 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -56.21 -27.33 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -58.97 -20.34 51.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.434 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 36.2 mtm -97.67 15.97 21.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.85 67.44 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' SER . 25.2 m-85 -135.01 110.15 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' PHE . 24.8 m -35.41 129.46 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -45.82 -43.36 13.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -67.0 -41.81 86.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.78 80.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 m -67.84 -54.31 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -48.25 -57.56 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -46.78 -54.89 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ASP . . . -51.29 -66.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -42.69 -39.65 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.4 mmm -69.05 -33.14 73.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' ALA . 1.2 m-20 -78.78 -56.24 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -68.02 -27.66 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' ASN . . . 98.72 83.44 1.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' GLY . 3.1 m120 37.74 30.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 6.1 m120 -80.08 97.87 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.4 tp -54.01 -56.2 20.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.2 mt-10 -71.12 -67.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.98 -44.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' A' ' 16' ' ' ILE . . . -39.86 -68.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.7 mt -47.98 -57.93 5.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.9 m-80 -34.48 -52.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.27 -40.72 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 41' ' ' LEU . 10.9 mt -63.93 -31.51 72.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' THR . 25.4 mt -81.44 -52.56 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -79.72 95.84 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -43.5 -51.99 6.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -44.55 -46.12 9.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 -36.62 71.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 26' ' ' SER . 6.2 tp -62.15 -56.51 18.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -51.82 -60.23 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.505 ' CD2' HD11 ' A' ' 37' ' ' LEU . 50.9 t60 -39.83 -34.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.457 HD11 ' CB ' ' A' ' 40' ' ' ALA . 77.5 mt -82.41 -60.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.448 ' CG2' HD12 ' A' ' 13' ' ' LEU . 61.5 p -39.21 -43.56 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.46 -42.5 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.9 mtt -56.57 -26.02 54.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.59 44.08 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 42.7 m-85 -119.99 138.4 53.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 23' ' ' LYS . 5.0 m -60.14 123.75 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' CE ' HD22 ' A' ' 13' ' ' LEU . 18.6 tptp -37.26 -55.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -57.99 -47.58 82.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.64 -52.76 62.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 8.5 t -62.19 -48.49 79.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -48.52 -58.62 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -50.46 -59.37 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.43 ' C ' ' OD1' ' A' ' 33' ' ' ASN . . . -42.96 -61.76 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 mt -45.57 -50.66 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.1 mmm -57.85 -25.59 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -92.43 -23.51 19.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.453 ' ND2' HG22 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -97.94 30.87 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.26 25.62 12.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m120 71.32 48.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' CG ' ' HB1' ' A' ' 39' ' ' ALA . 3.8 t-20 -98.16 116.45 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 15' ' ' HIS . 48.6 tp -56.08 -50.95 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.491 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.8 mt-10 -73.18 -68.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -37.86 -43.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' CB ' HD11 ' A' ' 16' ' ' ILE . . . -40.3 -67.99 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' ASN . 6.7 mt -48.25 -57.62 5.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.8 m-80 -34.66 -56.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.453 HG22 ' ND2' ' A' ' 33' ' ' ASN . 79.7 t -58.8 -44.69 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 17.2 mt -62.04 -31.72 72.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 46' ' ' THR . 18.2 mt -83.24 -68.01 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' LEU . 11.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 30' ' ' LEU . 6.3 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.43 ' N ' HD21 ' A' ' 35' ' ' ASN . 37.7 t70 -94.02 95.94 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.96 -52.32 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -45.04 -44.69 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.14 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.41 -61.77 2.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -46.12 -60.2 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -39.11 -36.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' THR . 38.7 mt -79.82 -62.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' ILE . 66.7 p -36.36 -35.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -54.46 -48.76 71.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.6 mtt -56.6 -18.99 13.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.04 57.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -129.65 130.56 45.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 t -47.52 119.02 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -39.75 -42.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -65.39 -46.23 80.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.03 85.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -68.08 -49.74 59.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -47.2 -62.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' ALA . 4.4 tp60 -51.62 -63.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . -35.78 -55.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 8' ' ' VAL . 10.6 mt -50.44 -49.92 53.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.0 mtt -59.29 -39.2 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.89 -37.55 76.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 61.0 m-80 -94.04 23.9 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.03 65.24 3.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.6 m120 42.95 40.33 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 16.7 m-20 -84.14 109.18 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.5 tp -54.89 -53.47 54.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.501 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 2.9 mt-10 -73.14 -67.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' GLU . . . -36.45 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -55.06 -56.22 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.06 -54.69 30.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 10.1 m-80 -39.8 -52.15 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.42 -41.28 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.56 -34.03 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.97 -47.07 26.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.921 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HB ' ' CG ' ' A' ' 31' ' ' MET . 7.1 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.411 ' N ' HG21 ' A' ' 8' ' ' VAL . 55.2 t0 -85.77 100.79 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -41.85 -52.34 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -43.98 -45.48 7.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.07 -35.65 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.21 -56.64 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -54.46 -47.55 72.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.454 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 53.4 t60 -51.91 -34.65 42.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.3 mt -79.42 -55.16 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p -42.92 -40.15 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.01 -44.2 60.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 mtt -58.39 -26.69 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.42 59.31 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.56 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 35.9 m-85 -127.98 163.69 23.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -80.92 124.32 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -37.91 -47.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 17.9 pt-20 -65.3 -48.27 73.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -55.67 -48.06 75.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.4 m -67.02 -51.67 51.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -52.81 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -50.61 -49.11 57.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.66 -63.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -45.5 -50.13 13.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.411 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 22.4 mtp -55.82 -31.21 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -81.6 -24.22 36.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -106.33 28.49 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.56 52.29 46.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 50.25 42.33 25.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 47.6 m-20 -88.43 109.27 19.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 tp -50.78 -56.44 12.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.6 mt-10 -69.07 -67.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.73 -43.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.71 -65.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.56 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 11.0 mt -50.5 -57.36 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 7.9 m-80 -34.63 -50.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.73 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 41' ' ' LEU . 8.3 mt -66.92 -29.44 69.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.87 -60.78 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -95.15 96.33 9.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.09 -55.61 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 2.2 mppt? -46.45 -44.46 17.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.54 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tp -60.23 -56.14 25.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.8 -58.46 3.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -39.31 -41.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.419 HD12 ' CB ' ' A' ' 40' ' ' ALA . 18.4 mt -74.03 -62.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -40.42 -40.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -49.76 -43.84 48.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 36.5 mtt -57.04 -30.74 64.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.94 47.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 47.4 m-85 -118.33 140.32 50.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.4 m -55.9 120.3 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -39.39 -46.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.5 -44.69 90.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.1 -48.09 81.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -68.8 -59.92 2.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -40.19 -59.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -54.82 -46.08 74.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.03 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mt -41.94 -52.08 4.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 35.9 mtp -49.72 -43.37 47.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -68.54 -37.96 80.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 20.2 m-80 -91.82 30.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.2 54.46 12.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 52.0 47.78 24.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 19.3 m-20 -90.84 103.23 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.1 tp -45.78 -57.22 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 7.1 mt-10 -72.2 -67.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 36' ' ' ASN . . . -36.88 -38.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -46.35 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 6.4 mt -49.05 -57.03 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 13.3 m-80 -34.5 -57.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -53.71 -42.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' LEU . 8.0 mt -67.79 -35.81 79.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.83 -60.03 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.454 HG22 ' N ' ' A' ' 9' ' ' ASP . 5.8 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.838 0.351 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.454 ' N ' HG22 ' A' ' 8' ' ' VAL . 31.5 t0 -79.75 95.81 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -41.27 -47.51 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -48.58 -44.19 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.98 -32.31 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.52 -58.17 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -44.83 -55.88 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -44.64 -41.6 6.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.469 HD12 ' CB ' ' A' ' 40' ' ' ALA . 75.7 mt -73.98 -61.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ILE . 41.2 p -36.91 -34.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -53.86 -47.79 70.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.8 mtt -56.42 -28.29 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.11 49.47 0.45 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -118.06 126.14 51.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.7 m -43.98 122.29 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -41.51 -33.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -72.3 -48.61 40.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.78 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -67.17 -60.78 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -38.85 -56.84 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -57.21 -61.75 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.44 -57.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -47.3 -52.3 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.3 mtp -57.7 -27.38 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.88 -43.33 20.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -80.63 -7.37 59.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.83 56.16 2.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 56.08 33.16 21.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.421 ' CG ' ' HB3' ' A' ' 39' ' ' ALA . 3.2 t-20 -88.28 108.18 19.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -56.89 -50.75 71.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 3.3 mt-10 -67.97 -68.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -38.69 -41.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -42.83 -62.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 42' ' ' ASN . 9.9 mt -53.45 -58.14 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 7.4 m-80 -34.38 -54.12 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.3 t -60.89 -49.55 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.4 mt -56.14 -35.16 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' THR . 13.2 mt -77.19 -60.68 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LEU . 19.1 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.431 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 14.8 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . 17.3 t70 -94.22 94.1 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' ASP . 23.5 mm-40 -36.58 -53.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -48.57 -41.46 30.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -78.67 -27.5 45.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tp -70.91 -60.43 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.02 -48.72 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -53.77 -42.56 68.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.5 -49.93 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.3 p -51.24 -30.04 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -54.85 -26.71 37.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.0 mtt -90.78 20.76 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.58 68.49 1.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.541 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 14.6 m-85 -135.28 109.3 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' PHE . 2.0 m -34.57 127.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -45.73 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 7.0 pt-20 -63.4 -38.47 91.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -65.45 -51.84 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.7 t -65.89 -52.92 45.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -42.74 -67.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 29' ' ' ALA . 26.7 tp60 -44.57 -65.27 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . -35.52 -65.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -43.47 -47.59 7.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 33.2 mtp -61.52 -38.69 88.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.53 -34.3 69.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 2.3 m-80 -97.91 28.25 4.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.01 70.95 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.431 ' ND2' ' HA ' ' A' ' 8' ' ' VAL . 7.2 m120 39.44 52.84 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.456 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 24.4 m-20 -96.4 104.27 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.7 tp -52.55 -62.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.501 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 1.4 mp0 -68.04 -68.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.469 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.61 -40.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 36' ' ' ASN . . . -45.56 -66.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.541 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 7.2 mt -48.87 -54.86 13.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.4 m-80 -36.34 -57.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.83 -40.2 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.1 mt -67.89 -34.46 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.3 mt -76.13 -64.32 1.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLU . 23.7 t0 -100.59 95.84 6.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' LEU . 1.8 mp0 -34.99 -56.21 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -41.79 -44.86 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -75.56 -28.69 59.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' GLU . 7.4 tp -69.97 -61.49 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -43.57 -57.92 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -39.88 -42.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.46 HD13 ' CB ' ' A' ' 40' ' ' ALA . 45.2 mt -74.42 -57.38 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -41.72 -34.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -59.01 -43.53 91.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mtt -59.88 -23.83 63.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.41 53.1 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.529 ' CE2' HD21 ' A' ' 41' ' ' LEU . 25.1 m-85 -126.21 132.69 51.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -45.74 128.79 8.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -51.88 -16.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -97.65 -43.28 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.58 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -74.48 -48.23 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -49.72 -57.95 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -56.94 -47.27 81.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.47 -61.41 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -43.22 -52.57 5.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.7 mtp -51.49 -31.63 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -80.8 -28.24 36.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -95.44 7.63 45.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.78 38.19 66.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 m120 71.62 32.8 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.411 ' CG ' ' HB3' ' A' ' 39' ' ' ALA . 6.0 t-20 -81.66 117.84 22.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.03 -52.15 63.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.9 mt-10 -70.41 -67.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB3' ' CG ' ' A' ' 36' ' ' ASN . . . -38.18 -38.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.46 ' CB ' HD13 ' A' ' 16' ' ' ILE . . . -45.61 -64.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.529 HD21 ' CE2' ' A' ' 21' ' ' PHE . 10.1 mt -52.15 -59.1 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.7 m-80 -35.3 -59.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.39 -36.94 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' LEU . 10.0 mt -72.98 -36.59 67.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.37 -63.61 1.29 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 9' ' ' ASP . 7.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.857 0.361 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 8' ' ' VAL . 23.7 t70 -94.97 93.87 7.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -41.43 -43.18 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -52.57 -42.71 64.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.94 -39.15 24.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tp -57.44 -50.2 73.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 tttt -53.19 -49.46 66.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -49.11 -44.09 41.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.465 HD12 ' CB ' ' A' ' 40' ' ' ALA . 54.6 mt -70.1 -60.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 16' ' ' ILE . 34.3 p -35.48 -37.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -52.19 -48.68 64.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.456 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 10.5 mtt -56.74 -24.31 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.74 65.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 36.2 m-85 -134.33 133.76 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' ALA . 1.1 t -52.07 121.66 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' SER . 10.9 tppt? -34.32 -39.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 12.6 pt-20 -71.5 -47.29 56.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' SER . . . -54.58 -50.93 66.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -69.67 -59.49 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.455 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -47.05 -66.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -43.29 -55.0 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.45 -54.18 15.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 35' ' ' ASN . 7.4 mt -50.04 -52.08 37.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.448 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 15.1 mtm -56.92 -33.88 67.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -41.23 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -86.4 -0.23 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.11 60.34 2.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.8 m120 47.64 30.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -82.02 102.62 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 tp -50.85 -52.85 37.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 9.8 mt-10 -65.23 -68.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -38.98 -43.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -39.33 -66.51 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.7 mt -49.85 -57.94 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.2 m-80 -34.05 -49.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.33 -43.98 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' LEU . 10.0 mt -62.14 -38.15 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 mt -75.26 -57.02 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.427 ' HB ' ' CG ' ' A' ' 31' ' ' MET . 7.7 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.831 0.348 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -91.4 94.89 9.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -37.97 -50.5 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -47.56 -44.65 26.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.54 55.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.18 -59.85 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -42.85 -57.33 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -40.23 -38.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLU . 43.9 mt -77.21 -60.87 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 p -39.71 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.3 mm-40 -64.78 -45.7 85.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 16' ' ' ILE . 25.6 mtm -63.99 -19.8 65.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.48 72.09 0.71 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' SER . 34.2 m-85 -141.51 118.44 11.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' PHE . 3.0 t -34.45 112.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -38.29 -34.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.5 -49.72 30.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -52.01 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -59.29 -60.71 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' SER . 46.9 ttt180 -36.24 -63.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -52.12 -54.04 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.08 -65.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 mt -45.78 -51.86 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.427 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 15.9 mtm -55.45 -32.73 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.05 -36.12 64.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -90.14 -6.85 54.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.16 52.92 2.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 60.75 27.78 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -77.66 108.64 11.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.3 tp -57.13 -58.82 6.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.5 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -66.41 -67.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.449 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -37.05 -42.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.98 -63.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 42' ' ' ASN . 5.8 mt -52.96 -58.09 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 7.2 m-80 -34.47 -51.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -60.58 -48.72 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 mt -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' THR . 24.8 mt -84.53 -68.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' LEU . 14.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.437 ' CG2' HD13 ' A' ' 30' ' ' LEU . 4.6 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.775 0.321 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -84.86 96.08 9.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -40.74 -49.93 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -47.76 -45.0 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.27 55.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tp -69.09 -63.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' HIS . 24.1 ttpt -49.54 -56.11 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' LYS . 28.0 t60 -37.09 -42.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' GLU . 80.4 mt -71.71 -58.01 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ILE . 25.5 p -35.39 -31.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' ILE . 14.9 mm-40 -54.24 -49.6 69.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.473 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 29.2 mtm -59.4 -20.2 53.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.9 61.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.481 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 40.5 m-85 -132.84 113.1 12.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' PHE . 63.8 m -37.31 126.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -46.62 -31.87 3.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -68.67 -52.79 27.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . . . -57.91 -43.88 86.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.074 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -69.03 -59.79 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -40.57 -57.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -53.22 -54.06 41.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.09 -67.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.437 HD13 ' CG2' ' A' ' 8' ' ' VAL . 10.2 mt -44.92 -54.29 6.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.9 mmm -49.31 -27.8 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -87.1 -29.88 21.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . 2.6 m-80 -96.78 18.04 15.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' C ' ' OD1' ' A' ' 35' ' ' ASN . . . 59.66 40.59 96.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 34' ' ' GLY . 1.3 m120 72.6 45.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.427 ' CB ' ' HB3' ' A' ' 33' ' ' ASN . 17.8 t-20 -92.56 113.15 25.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.75 -49.46 72.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.1 mt-10 -70.72 -68.4 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -40.71 -37.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.5 -66.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' HE2' ' A' ' 19' ' ' MET . 7.2 mt -50.38 -56.53 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.0 m-80 -33.54 -48.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -66.43 -50.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.481 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 7.5 mt -59.32 -25.77 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.72 -38.93 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.5 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.435 ' HB ' ' CG ' ' A' ' 31' ' ' MET . 4.7 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.897 0.38 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -83.5 100.89 11.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -46.8 -55.34 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -48.59 -43.41 35.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.59 -25.56 57.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.66 -66.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -44.66 -44.27 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -51.48 -36.69 45.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.428 HD12 ' CB ' ' A' ' 40' ' ' ALA . 38.2 mt -80.3 -57.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.7 p -40.41 -31.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.62 -45.46 73.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.3 mtt -58.66 -27.99 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.58 43.68 0.45 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.54 ' CE2' HD23 ' A' ' 41' ' ' LEU . 56.4 m-85 -111.54 143.6 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.876 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -61.8 130.24 44.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -53.01 -38.48 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -67.79 -38.29 83.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.16 -48.74 50.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -66.6 -47.04 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -50.51 -54.2 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -66.18 -55.42 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.0 -57.58 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.95 -52.02 21.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.435 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 13.2 mtm -57.45 -35.32 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.58 -44.04 75.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -82.19 -12.97 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.81 58.98 1.65 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m120 54.61 37.38 27.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -88.1 101.83 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 tp -50.63 -55.84 14.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 5.6 mt-10 -71.21 -67.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.69 -39.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -46.9 -63.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' A' ' 21' ' ' PHE . 7.5 mt -52.61 -56.8 12.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.6 m-80 -34.39 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.3 t -46.69 -51.67 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.49 -33.09 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.33 -59.76 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -113.77 137.38 51.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t 56.66 41.14 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.07 106.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t -141.55 156.17 45.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.3 m -49.28 176.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.59 30.68 3.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.468 ' HB ' ' CG ' ' A' ' 31' ' ' MET . 7.2 p -121.96 153.48 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' GLU . 19.0 t0 -98.12 94.44 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' ASP . 22.5 mm-40 -35.82 -54.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -45.13 -45.12 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -73.43 -36.17 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' CD2' ' HE2' ' A' ' 23' ' ' LYS . 5.3 tp -60.79 -64.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -45.5 -60.31 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -40.23 -39.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.462 HD13 ' CB ' ' A' ' 40' ' ' ALA . 46.4 mt -77.68 -49.17 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 p -47.9 -35.46 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -49.41 -32.49 11.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.466 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 47.5 mtm -88.39 26.1 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.38 73.33 0.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' SER . 35.2 m-85 -138.04 106.89 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' PHE . 73.1 p -36.63 126.64 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HE2' ' CD2' ' A' ' 13' ' ' LEU . 52.4 tttm -47.87 -40.34 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.44 -39.18 93.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.2 -57.2 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -60.88 -39.62 89.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -56.18 -66.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -51.09 -57.02 9.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.43 -62.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 35' ' ' ASN . 8.2 mt -46.01 -49.2 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.468 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 14.8 mtm -61.94 -34.47 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.64 -41.17 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 2.9 m-80 -92.29 28.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.31 65.89 3.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' LEU . 13.8 m120 41.58 43.26 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 30.1 m-20 -87.67 105.13 17.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.8 tp -50.84 -50.72 56.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.5 mt-10 -71.93 -67.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.441 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.73 -40.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' CB ' HD13 ' A' ' 16' ' ' ILE . . . -45.83 -66.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' CD1' ' HE2' ' A' ' 19' ' ' MET . 11.0 mt -49.33 -57.03 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 11.2 m-80 -35.22 -53.72 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.4 t -63.84 -55.28 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -50.65 -30.13 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' THR . 19.0 mt -85.06 -65.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.3 p -34.98 -49.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.7 m -66.47 -45.1 80.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' LEU . 50.1 t30 -71.53 139.31 49.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 84.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -144.12 148.77 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -96.14 143.93 26.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.538 0.685 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 121.91 8.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.0 t -111.74 96.39 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' GLY . 18.3 ttm -108.4 76.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' MET . . . 37.98 -158.12 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 152.75 69.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 103.58 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -88.09 -35.22 17.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.09 145.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.9 p -149.46 148.47 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 t -79.27 91.82 5.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 t -85.14 -60.46 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -62.12 172.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.2 96.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -150.58 121.11 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.804 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -172.14 130.62 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.15 -40.68 98.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.434 ' CG1' ' HG3' ' A' ' 27' ' ' ARG . 5.5 p -78.65 144.11 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' GLU . 41.0 t0 -79.11 94.82 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ASP . 5.6 mt-10 -36.41 -55.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -44.05 -44.12 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -78.17 -38.48 43.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.0 tp -58.55 -56.76 17.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -55.01 -59.25 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.448 ' CD2' HD11 ' A' ' 37' ' ' LEU . 65.9 t60 -38.53 -33.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.45 HD13 ' CB ' ' A' ' 40' ' ' ALA . 59.0 mt -82.06 -58.95 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 43.7 p -44.35 -28.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.75 -47.09 87.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.477 ' CE ' ' CD1' ' A' ' 41' ' ' LEU . 28.8 mtm -57.79 -24.97 59.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.5 63.44 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -134.59 153.33 52.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.9 m -73.13 120.37 18.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' SER . 42.6 tttm -37.32 -47.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.72 -51.08 70.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.13 -51.16 65.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 m -60.41 -51.38 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HG3' ' CG1' ' A' ' 8' ' ' VAL . 34.0 ttp85 -45.78 -57.05 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -59.83 -54.86 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.33 -60.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.425 ' CD2' ' HB3' ' A' ' 40' ' ' ALA . 9.2 mt -56.05 -52.85 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.1 mmm -52.51 -22.84 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -89.49 -30.54 18.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 2.0 m-80 -100.77 30.76 3.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.45 51.84 48.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 48.98 46.76 22.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 65.9 m-20 -87.88 106.4 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 15' ' ' HIS . 46.5 tp -48.96 -54.08 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 5.0 mt-10 -74.17 -67.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.45 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.7 -43.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.45 ' CB ' HD13 ' A' ' 16' ' ' ILE . . . -42.2 -65.99 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CD1' ' CE ' ' A' ' 19' ' ' MET . 5.8 mt -49.96 -58.26 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.5 m-80 -34.42 -54.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.25 -43.73 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' LEU . 18.0 mt -61.67 -35.24 77.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' THR . 11.1 mt -82.97 -66.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LEU . 11.7 p -34.18 -37.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' LEU . 21.8 m -76.54 -57.23 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' C ' ' OD1' ' A' ' 48' ' ' ASN . 27.5 p30 -72.8 170.55 14.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -78.01 91.7 4.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -37.86 154.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -116.13 147.06 38.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 123.21 9.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.9 t -75.27 120.35 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.7 mmt -83.66 102.66 12.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.42 172.3 20.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.45 34.49 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.731 2.288 . . . . 0.0 112.305 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 87.27 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.8 m -117.63 174.76 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.61 81.21 0.35 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 102.14 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.284 . . . . 0.0 112.316 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.2 p -151.12 109.53 3.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.6 p -172.65 173.7 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -38.94 105.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -70.02 -44.72 68.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.65 -56.38 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -66.93 171.38 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -65.82 177.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.43 42.41 1.97 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 30' ' ' LEU . 8.0 p -131.93 153.31 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -98.41 97.91 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -40.0 -52.91 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -45.75 -45.76 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.82 -37.2 64.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 tp -60.53 -60.75 3.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -46.97 -56.3 6.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -41.24 -37.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.8 mt -79.79 -60.61 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.9 p -37.77 -35.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -53.83 -46.69 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.0 mtt -56.66 -23.95 45.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.99 57.82 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 37.3 m-85 -127.49 140.3 52.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -61.59 130.83 47.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.07 -36.48 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.65 -42.12 64.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.79 -49.75 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.139 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 m -69.93 -53.77 16.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -49.7 -63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -50.68 -46.88 58.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.15 -67.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.457 HD13 ' CG2' ' A' ' 8' ' ' VAL . 10.2 mt -41.83 -50.68 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.7 mtp -52.61 -36.01 55.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -87.71 -17.21 32.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 33' ' ' ASN . 1.8 m-80 -106.5 30.89 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.76 50.09 26.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.429 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 m120 49.31 44.3 23.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -89.77 105.75 18.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.2 tp -50.57 -50.86 52.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 3.4 mt-10 -71.67 -68.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.69 -44.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.91 -67.36 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 44' ' ' LEU . 9.3 mt -48.78 -57.54 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.3 m-80 -34.52 -57.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.01 -39.95 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 11.8 mt -72.05 -24.39 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 mt -86.1 -68.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.4 t -36.62 -36.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -125.37 77.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -109.19 -43.36 4.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -127.7 168.04 15.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -40.96 112.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.462 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 18.3 ttmt -76.6 143.31 71.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 54.3 Cg_endo -69.73 154.96 67.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.26 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.37 117.79 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 55' ' ' GLY . 76.5 mmm -118.08 85.72 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 54' ' ' MET . . . 34.07 -96.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 54' ' ' MET . 54.2 Cg_endo -69.71 148.67 65.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.258 . . . . 0.0 112.383 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 168.25 22.09 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.695 2.264 . . . . 0.0 112.286 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 t -104.68 140.75 37.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 43.56 81.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.6 3.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.392 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' SER . 61.3 p -164.46 154.94 14.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' SER . 23.8 p 36.38 41.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -93.31 136.62 33.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -63.34 -46.38 86.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.54 86.71 1.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -145.82 164.86 30.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -73.25 101.5 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.61 51.96 0.73 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 7.6 p -129.52 145.98 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 111.166 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -92.38 95.64 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -41.23 -51.27 3.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -46.77 -44.52 19.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.91 -42.0 58.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tp -50.56 -57.71 7.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' HIS . 13.7 ttpt -47.03 -60.17 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' LYS . 78.5 t60 -35.56 -39.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.45 HD12 ' CB ' ' A' ' 40' ' ' ALA . 51.2 mt -78.42 -59.06 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 p -39.69 -40.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -50.78 -43.43 58.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.1 mtt -59.15 -25.35 63.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.48 41.57 0.79 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -112.52 144.24 42.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -61.45 125.69 24.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -48.38 -38.62 19.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -65.95 -45.17 82.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.438 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . . . -65.96 -49.07 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -63.99 -40.66 96.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -59.45 -57.29 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -55.5 -59.23 5.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.14 -63.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 35' ' ' ASN . 9.6 mt -42.96 -49.67 5.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 21.6 mtp -60.38 -38.2 83.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.91 -38.2 76.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 3.1 m-80 -95.61 27.22 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.78 67.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.0 m120 39.43 41.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 13.6 m-20 -87.34 99.0 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.7 tp -47.67 -50.79 23.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 3.9 mt-10 -70.76 -67.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.88 -37.96 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.45 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -48.22 -65.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mt -49.46 -53.75 21.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 10.5 m-80 -37.94 -58.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.7 t -59.16 -53.64 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.438 ' CD2' ' HB2' ' A' ' 25' ' ' ALA . 16.1 mt -49.9 -34.73 21.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 46' ' ' THR . 32.7 mt -79.44 -64.01 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' LEU . 33.0 p -35.5 -40.31 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.2 m -79.1 -49.92 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -45.81 155.77 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.38 93.59 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -90.6 168.08 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -94.87 144.01 27.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.87 18.31 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.292 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.5 t -106.56 130.5 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.2 tpp -52.55 129.74 29.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 145.23 146.26 4.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 163.87 36.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.87 10.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 t -93.84 140.06 30.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.35 -158.92 25.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.523 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -12.14 32.4 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.394 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m -106.56 107.04 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -114.47 172.25 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -163.64 175.08 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -117.82 40.66 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.02 -50.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 p -63.45 153.57 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -92.4 166.79 12.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.31 44.13 1.27 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.464 ' CG2' HD11 ' A' ' 30' ' ' LEU . 5.7 p -130.76 152.89 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.364 . . . . 0.0 111.151 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -99.24 98.08 9.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -38.79 -55.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -42.92 -45.04 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.86 57.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tp -58.78 -54.96 41.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' HIS . 5.7 tptm -57.2 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' LYS . 62.9 t60 -34.4 -41.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.469 HD13 ' CB ' ' A' ' 40' ' ' ALA . 89.2 mt -72.64 -48.77 44.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.426 HG23 ' CE ' ' A' ' 23' ' ' LYS . 77.1 p -53.65 -24.75 15.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.87 -20.55 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 39.8 mtm -96.46 19.1 12.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.56 66.46 2.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE2' HD23 ' A' ' 41' ' ' LEU . 26.1 m-85 -132.04 119.38 20.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 21' ' ' PHE . 4.1 m -37.52 122.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' CE ' HG23 ' A' ' 17' ' ' THR . 0.5 OUTLIER -39.82 -43.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.74 -44.16 57.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.99 -52.44 14.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ARG . 12.4 t -66.38 -58.79 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 26.8 ttt180 -38.3 -65.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -47.12 -64.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -39.88 -59.89 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.464 HD11 ' CG2' ' A' ' 8' ' ' VAL . 7.6 mt -45.03 -52.23 9.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.2 mtp -57.05 -38.13 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.45 -45.69 75.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -79.8 -13.98 59.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.07 58.29 1.6 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 m120 58.05 26.85 14.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.41 ' CG ' ' HB3' ' A' ' 39' ' ' ALA . 3.2 t-20 -75.11 110.86 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.29 -49.97 67.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 14.4 mt-10 -73.2 -67.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -40.37 -39.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' CB ' HD13 ' A' ' 16' ' ' ILE . . . -42.12 -67.99 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 HD23 ' CE2' ' A' ' 21' ' ' PHE . 6.8 mt -48.54 -55.56 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.2 m-80 -36.88 -52.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.4 t -64.08 -49.57 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mt -62.39 -20.53 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.48 -65.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 t -39.51 -30.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.2 m -132.93 78.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.12 154.44 34.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -88.11 113.85 24.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -43.82 127.2 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -107.86 146.73 34.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 140.19 42.06 Favored 'Trans proline' 0 N--CA 1.466 -0.134 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -92.11 146.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.1 ptp -119.05 84.74 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.97 -159.55 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 163.0 39.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -21.54 33.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.743 2.295 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.6 t 62.52 46.2 5.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.82 146.49 28.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 126.06 12.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -116.38 -32.6 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.7 t -56.08 -45.3 79.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' GLY . 28.5 t -35.72 147.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -89.74 52.07 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.07 -173.09 12.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 m -79.91 88.51 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.825 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -165.64 153.46 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.78 42.16 1.81 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' CG2' HD12 ' A' ' 30' ' ' LEU . 12.0 p -131.21 142.3 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 12' ' ' ALA . 26.4 t70 -96.05 94.8 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ASP . 17.6 mt-10 -34.45 -54.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -46.37 -44.86 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -73.56 -31.25 63.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 tp -65.84 -62.66 1.38 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.85 -55.5 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -42.19 -36.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.462 HD11 ' CB ' ' A' ' 40' ' ' ALA . 63.0 mt -79.04 -47.07 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -55.07 -25.58 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.88 -13.9 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.457 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 17.0 mtm -103.5 23.04 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.16 57.87 5.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -129.41 118.79 22.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -37.97 132.77 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -54.45 -14.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.38 -43.82 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.18 -46.32 62.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.4 m -75.37 -50.02 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -45.34 -59.98 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -52.15 -58.8 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.92 -58.04 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.453 HD12 ' CG2' ' A' ' 8' ' ' VAL . 10.8 mt -45.7 -49.37 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 28.5 mtp -58.91 -31.31 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -77.78 -43.84 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -79.4 -13.7 59.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.55 61.51 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.447 HD21 ' N ' ' A' ' 9' ' ' ASP . 5.4 m120 51.19 30.36 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.3 m-20 -79.36 107.02 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.3 tp -55.32 -59.82 4.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.503 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.2 -67.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.469 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.7 -38.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' CB ' HD11 ' A' ' 16' ' ' ILE . . . -48.37 -65.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' LEU . 8.0 mt -49.37 -53.94 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 10.1 m-80 -36.77 -54.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.53 -35.16 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 41' ' ' LEU . 10.2 mt -76.8 -23.9 52.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.47 -62.23 1.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 t -38.02 -32.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -85.42 -60.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.94 -59.54 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.69 132.03 54.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -74.18 107.57 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -118.02 148.83 44.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.519 0.676 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 111.0 2.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.18 119.99 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.2 ptm -110.95 82.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.18 145.8 5.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 147.52 63.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.297 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 98.27 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -158.08 139.6 13.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.85 69.76 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -42.63 3.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.6 t -135.6 109.22 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.779 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.0 m -104.98 107.7 18.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 m -110.17 168.01 9.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -101.33 42.19 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.5 150.35 21.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p -90.62 169.96 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -59.95 -52.75 64.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.83 -30.49 2.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 9' ' ' ASP . 3.1 p -100.06 152.85 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.452 ' N ' HG22 ' A' ' 8' ' ' VAL . 24.7 t0 -90.29 96.46 10.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -42.84 -50.43 5.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -46.56 -45.8 18.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.39 -39.76 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tp -58.58 -61.56 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -46.37 -49.22 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -47.14 -39.63 13.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' THR . 51.5 mt -77.3 -60.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ILE . 73.4 p -35.56 -35.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.5 mm-40 -51.45 -49.37 61.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.453 ' HE1' ' CD1' ' A' ' 41' ' ' LEU . 9.4 mtt -57.74 -29.46 64.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.22 65.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.559 ' CE2' HD23 ' A' ' 41' ' ' LEU . 40.4 m-85 -129.57 148.42 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.9 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -64.19 125.01 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.26 -45.98 12.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.41 -39.15 88.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.66 -57.19 10.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.1 m -64.13 -44.01 93.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' NH1' ' CG1' ' A' ' 8' ' ' VAL . 30.2 ttm-85 -56.42 -54.25 47.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -62.19 -51.04 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.63 -58.51 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -46.84 -53.82 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.9 mtp -52.15 -23.9 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -87.83 -29.24 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -98.55 17.38 19.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' C ' ' OD1' ' A' ' 35' ' ' ASN . . . 62.77 37.83 95.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER 72.97 38.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.46 ' ND2' ' HB1' ' A' ' 39' ' ' ALA . 30.6 t-20 -85.76 112.99 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.21 -48.74 74.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.0 mt-10 -69.09 -68.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' HB1' ' ND2' ' A' ' 36' ' ' ASN . . . -39.77 -43.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.56 -67.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.559 HD23 ' CE2' ' A' ' 21' ' ' PHE . 7.1 mt -48.95 -57.72 6.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.3 m-80 -35.01 -60.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.41 -52.69 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 9.9 mt -52.84 -32.27 43.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' THR . 19.2 mt -79.54 -62.45 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LEU . 14.4 p -34.12 -43.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.7 m -63.24 -61.82 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -53.62 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -114.0 136.74 52.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -87.13 125.74 34.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -121.91 148.48 51.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 164.16 35.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.61 128.87 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -128.86 96.88 4.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.4 171.78 8.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 169.94 17.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.72 29.29 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.355 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -117.09 174.11 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.59 146.24 10.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.19 4.94 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.357 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.4 m -104.68 144.97 31.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -93.06 -57.31 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -121.2 42.68 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.831 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 64.31 41.53 5.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.46 82.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 t -107.5 127.73 53.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -158.26 160.7 37.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.2 45.92 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.436 HG22 ' N ' ' A' ' 9' ' ' ASP . 7.1 p -135.39 139.19 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 111.072 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' N ' HG22 ' A' ' 8' ' ' VAL . 25.7 t0 -90.63 100.47 13.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -44.98 -55.43 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' CA ' ' HE2' ' A' ' 11' ' ' LYS . 2.4 mmpt? -43.28 -48.04 6.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.31 -36.0 74.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 tp -59.51 -53.03 62.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -54.96 -55.17 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.424 ' CD2' HD12 ' A' ' 37' ' ' LEU . 59.1 t60 -41.53 -43.4 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' THR . 30.6 mt -74.05 -61.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' ILE . 72.4 p -35.9 -39.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -45.34 -48.57 13.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.461 ' CE ' HD13 ' A' ' 41' ' ' LEU . 30.3 mtt -56.66 -31.68 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.6 51.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 41' ' ' LEU . 60.7 m-85 -123.47 128.13 49.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -51.84 121.37 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -43.26 -39.88 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 11.0 pt-20 -63.81 -42.75 97.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -66.18 -55.47 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.6 m -58.08 -46.42 85.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 ttt-85 -49.47 -63.41 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -52.71 -58.29 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.03 -63.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.6 mt -41.22 -52.67 3.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.409 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 6.8 mtt -48.68 -36.96 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.56 -37.88 65.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -92.23 30.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.17 49.0 31.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 56.77 40.8 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.449 ' CB ' ' HB1' ' A' ' 39' ' ' ALA . 11.1 m-20 -85.84 107.73 17.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 15' ' ' HIS . 53.5 tp -50.73 -53.1 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.4 mt-10 -69.73 -67.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.457 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.76 -41.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.13 -66.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 21' ' ' PHE . 8.7 mt -48.85 -55.94 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.0 m-80 -34.83 -62.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.4 t -51.45 -55.54 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -50.8 -38.86 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.8 mt -70.9 -59.68 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 p -40.0 -42.09 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.5 p -96.89 45.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -165.43 112.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 47.21 41.06 11.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.18 123.41 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 11.5 ttpt -89.43 142.9 30.0 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.608 0.718 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.453 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.79 123.02 9.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.622 2.214 . . . . 0.0 112.356 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.1 m -66.49 152.57 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.3 ttt -162.73 133.42 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.41 146.32 4.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 168.0 22.86 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.41 50.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 p -46.91 119.45 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.8 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -41.66 150.03 0.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 133.2 24.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.7 p -57.83 151.57 17.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.5 m -92.35 157.74 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -86.56 85.65 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 m -99.36 42.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.14 -61.02 0.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.545 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -47.41 161.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -127.82 -43.43 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.93 -38.36 3.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 p -94.95 154.3 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.179 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -90.46 99.93 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -46.85 -53.84 11.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -45.9 -44.69 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.77 -32.97 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 tp -61.76 -62.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -48.0 -51.33 24.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -43.66 -38.02 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 40' ' ' ALA . 73.5 mt -77.17 -43.32 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -56.21 -27.33 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -58.97 -20.34 51.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.434 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 36.2 mtm -97.67 15.97 21.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.85 67.44 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' SER . 25.2 m-85 -135.01 110.15 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' PHE . 24.8 m -35.41 129.46 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -45.82 -43.36 13.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -67.0 -41.81 86.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.78 80.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 m -67.84 -54.31 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -48.25 -57.56 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -46.78 -54.89 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ASP . . . -51.29 -66.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.7 mt -42.69 -39.65 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.4 mmm -69.05 -33.14 73.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' ALA . 1.2 m-20 -78.78 -56.24 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -68.02 -27.66 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' ASN . . . 98.72 83.44 1.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' GLY . 3.1 m120 37.74 30.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.46 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 6.1 m120 -80.08 97.87 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.4 tp -54.01 -56.2 20.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.2 mt-10 -71.12 -67.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.98 -44.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' A' ' 16' ' ' ILE . . . -39.86 -68.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.7 mt -47.98 -57.93 5.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.9 m-80 -34.48 -52.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.27 -40.72 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 41' ' ' LEU . 10.9 mt -63.93 -31.51 72.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' THR . 25.4 mt -81.44 -52.56 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.7 p -38.07 -41.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 p -134.13 82.27 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 48' ' ' ASN . 7.5 t-20 -116.98 112.86 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -99.04 129.08 45.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -58.85 150.89 22.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -116.2 144.36 32.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.523 0.678 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -176.12 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -81.28 135.18 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' GLY . 3.4 ttt -105.02 102.14 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' MET . . . -36.22 146.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 165.92 29.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.323 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -178.56 2.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.372 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.5 t -44.7 -47.4 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.65 83.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.71 3.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.618 2.212 . . . . 0.0 112.357 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.4 m -130.48 131.67 45.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -79.89 -48.17 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 p -73.82 90.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -112.18 88.15 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.53 -121.97 5.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -121.16 114.13 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.822 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -86.15 -68.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.9 32.52 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 p -123.07 142.9 37.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -79.72 95.84 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -43.5 -51.99 6.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -44.55 -46.12 9.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 -36.62 71.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 26' ' ' SER . 6.2 tp -62.15 -56.51 18.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -51.82 -60.23 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.505 ' CD2' HD11 ' A' ' 37' ' ' LEU . 50.9 t60 -39.83 -34.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.457 HD11 ' CB ' ' A' ' 40' ' ' ALA . 77.5 mt -82.41 -60.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.448 ' CG2' HD12 ' A' ' 13' ' ' LEU . 61.5 p -39.21 -43.56 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.46 -42.5 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.405 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.9 mtt -56.57 -26.02 54.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.59 44.08 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 42.7 m-85 -119.99 138.4 53.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 23' ' ' LYS . 5.0 m -60.14 123.75 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' CE ' HD22 ' A' ' 13' ' ' LEU . 18.6 tptp -37.26 -55.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -57.99 -47.58 82.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.64 -52.76 62.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 13' ' ' LEU . 8.5 t -62.19 -48.49 79.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -48.52 -58.62 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -50.46 -59.37 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.43 ' C ' ' OD1' ' A' ' 33' ' ' ASN . . . -42.96 -61.76 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 mt -45.57 -50.66 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.1 mmm -57.85 -25.59 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -92.43 -23.51 19.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.453 ' ND2' HG22 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -97.94 30.87 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.26 25.62 12.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 m120 71.32 48.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' CG ' ' HB1' ' A' ' 39' ' ' ALA . 3.8 t-20 -98.16 116.45 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.505 HD11 ' CD2' ' A' ' 15' ' ' HIS . 48.6 tp -56.08 -50.95 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.8 mt-10 -73.18 -68.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -37.86 -43.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' CB ' HD11 ' A' ' 16' ' ' ILE . . . -40.3 -67.99 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' ASN . 6.7 mt -48.25 -57.62 5.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.8 m-80 -34.66 -56.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.453 HG22 ' ND2' ' A' ' 33' ' ' ASN . 79.7 t -58.8 -44.69 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 17.2 mt -62.04 -31.72 72.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' ASN . 18.2 mt -83.24 -68.01 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' LEU . 11.2 t -37.75 -37.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -96.93 43.89 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.4 p-10 -131.82 177.58 7.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -82.49 146.07 29.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.47 125.0 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -113.68 144.13 30.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.55 0.69 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 109.35 2.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.8 p -113.77 147.17 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.2 ttm -133.47 56.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -144.85 146.73 17.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 148.41 64.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 128.89 16.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.0 m -111.87 168.82 9.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -97.62 170.56 25.56 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -178.18 2.25 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.298 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.5 m -124.41 95.71 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.7 m -117.77 -58.87 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p -118.38 42.01 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -45.97 120.83 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.15 47.0 1.06 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.8 t -132.01 133.32 44.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' SER . 88.5 p 36.38 50.51 0.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.16 53.93 3.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 30' ' ' LEU . 6.3 p -133.8 146.57 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.43 ' N ' HD21 ' A' ' 35' ' ' ASN . 37.7 t70 -94.02 95.94 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.96 -52.32 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -45.04 -44.69 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.14 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.41 -61.77 2.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -46.12 -60.2 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -39.11 -36.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' THR . 38.7 mt -79.82 -62.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' ILE . 66.7 p -36.36 -35.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -54.46 -48.76 71.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.6 mtt -56.6 -18.99 13.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.04 57.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -129.65 130.56 45.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 t -47.52 119.02 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -39.75 -42.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -65.39 -46.23 80.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.03 85.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -68.08 -49.74 59.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -47.2 -62.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' ALA . 4.4 tp60 -51.62 -63.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . -35.78 -55.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 8' ' ' VAL . 10.6 mt -50.44 -49.92 53.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.0 mtt -59.29 -39.2 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.89 -37.55 76.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 61.0 m-80 -94.04 23.9 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.03 65.24 3.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.6 m120 42.95 40.33 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 16.7 m-20 -84.14 109.18 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.5 tp -54.89 -53.47 54.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.501 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 2.9 mt-10 -73.14 -67.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 38' ' ' GLU . . . -36.45 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 38' ' ' GLU . . . -55.06 -56.22 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.06 -54.69 30.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 10.1 m-80 -39.8 -52.15 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.42 -41.28 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.56 -34.03 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.97 -47.07 26.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.2 p -47.2 -44.85 22.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 t -120.07 80.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.47 176.42 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -110.66 29.98 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -139.01 177.7 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 39.4 ttmt -66.92 139.46 95.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.2 Cg_endo -69.82 148.09 63.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.9 p -120.23 135.56 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.06 132.58 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.28 171.84 28.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.47 69.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 136.19 32.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 m -83.3 130.26 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.94 149.33 17.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 95.9 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.2 m -157.66 141.95 16.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.4 t -152.75 121.6 6.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m -90.47 -43.24 10.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.376 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -93.23 145.99 24.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.17 85.77 0.13 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -59.59 117.46 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -149.37 138.6 21.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.39 37.07 3.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HB ' ' CG ' ' A' ' 31' ' ' MET . 7.1 p -133.31 137.37 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 111.108 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.411 ' N ' HG21 ' A' ' 8' ' ' VAL . 55.2 t0 -85.77 100.79 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -41.85 -52.34 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -43.98 -45.48 7.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.07 -35.65 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.21 -56.64 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -54.46 -47.55 72.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.454 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 53.4 t60 -51.91 -34.65 42.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.3 mt -79.42 -55.16 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p -42.92 -40.15 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.01 -44.2 60.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 mtt -58.39 -26.69 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.42 59.31 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.56 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 35.9 m-85 -127.98 163.69 23.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -80.92 124.32 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -37.91 -47.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 17.9 pt-20 -65.3 -48.27 73.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -55.67 -48.06 75.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.4 m -67.02 -51.67 51.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -52.81 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -50.61 -49.11 57.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.66 -63.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -45.5 -50.13 13.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.411 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 22.4 mtp -55.82 -31.21 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -81.6 -24.22 36.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -106.33 28.49 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.56 52.29 46.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 50.25 42.33 25.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 47.6 m-20 -88.43 109.27 19.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 tp -50.78 -56.44 12.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.6 mt-10 -69.07 -67.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.73 -43.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.71 -65.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.56 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 11.0 mt -50.5 -57.36 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 7.9 m-80 -34.63 -50.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.73 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 41' ' ' LEU . 8.3 mt -66.92 -29.44 69.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.87 -60.78 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -41.73 -36.02 0.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -104.76 61.82 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -146.75 146.01 30.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -39.94 115.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -157.56 161.85 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 18.5 tttt -66.5 140.68 96.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.525 0.678 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.76 113.52 3.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.333 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.4 p -81.81 141.34 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 64.8 mmm -64.99 93.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.74 -95.67 0.11 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.443 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 148.59 65.7 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.734 2.289 . . . . 0.0 112.309 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -34.66 14.21 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.304 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.0 t -170.49 177.6 3.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.73 59.31 0.69 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 174.65 9.21 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.737 2.291 . . . . 0.0 112.326 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.6 m -139.07 137.27 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.0 p -85.15 42.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 p -147.86 153.94 39.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -135.66 176.78 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.91 130.9 5.51 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -145.69 130.75 18.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -112.7 119.42 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.47 58.15 0.55 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.35 149.17 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -95.15 96.33 9.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.09 -55.61 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 2.2 mppt? -46.45 -44.46 17.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.54 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tp -60.23 -56.14 25.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.8 -58.46 3.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -39.31 -41.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.419 HD12 ' CB ' ' A' ' 40' ' ' ALA . 18.4 mt -74.03 -62.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -40.42 -40.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -49.76 -43.84 48.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 36.5 mtt -57.04 -30.74 64.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.94 47.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 47.4 m-85 -118.33 140.32 50.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.4 m -55.9 120.3 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -39.39 -46.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.5 -44.69 90.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.1 -48.09 81.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -68.8 -59.92 2.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -40.19 -59.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -54.82 -46.08 74.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.03 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.9 mt -41.94 -52.08 4.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 35.9 mtp -49.72 -43.37 47.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -68.54 -37.96 80.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 20.2 m-80 -91.82 30.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.2 54.46 12.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 52.0 47.78 24.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 19.3 m-20 -90.84 103.23 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.1 tp -45.78 -57.22 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 7.1 mt-10 -72.2 -67.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 36' ' ' ASN . . . -36.88 -38.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -46.35 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 6.4 mt -49.05 -57.03 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 13.3 m-80 -34.5 -57.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.5 t -53.71 -42.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' LEU . 8.0 mt -67.79 -35.81 79.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.83 -60.03 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 t -50.96 -39.42 55.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.5 m -131.89 83.69 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.2 p-10 -99.23 153.67 18.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -154.05 127.99 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -66.86 125.07 24.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -115.29 148.72 41.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 116.31 4.5 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -76.37 121.42 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.0 mtt -147.56 131.43 17.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.11 146.24 14.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 148.67 65.18 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.58 35.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.3 m -97.76 -50.61 4.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.05 146.21 4.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.439 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 161.95 43.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -89.83 112.16 23.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.2 m -117.78 169.06 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -54.25 158.84 2.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -61.05 137.28 58.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.06 -175.23 0.22 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -160.23 120.28 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m -74.01 -38.37 64.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' ND2' ' A' ' 35' ' ' ASN . . . 128.24 -23.21 5.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.454 HG22 ' N ' ' A' ' 9' ' ' ASP . 5.8 p -103.64 136.77 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.351 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' N ' HG22 ' A' ' 8' ' ' VAL . 31.5 t0 -79.75 95.81 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -41.27 -47.51 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -48.58 -44.19 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.98 -32.31 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.52 -58.17 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -44.83 -55.88 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -44.64 -41.6 6.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.469 HD12 ' CB ' ' A' ' 40' ' ' ALA . 75.7 mt -73.98 -61.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ILE . 41.2 p -36.91 -34.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -53.86 -47.79 70.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.8 mtt -56.42 -28.29 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.11 49.47 0.45 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -118.06 126.14 51.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.7 m -43.98 122.29 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -41.51 -33.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -72.3 -48.61 40.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.78 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -67.17 -60.78 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.8 ttt85 -38.85 -56.84 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -57.21 -61.75 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.44 -57.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -47.3 -52.3 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.3 mtp -57.7 -27.38 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.88 -43.33 20.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -80.63 -7.37 59.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.83 56.16 2.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 7' ' ' GLY . 3.0 m120 56.08 33.16 21.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.421 ' CG ' ' HB3' ' A' ' 39' ' ' ALA . 3.2 t-20 -88.28 108.18 19.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -56.89 -50.75 71.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 3.3 mt-10 -67.97 -68.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -38.69 -41.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -42.83 -62.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 42' ' ' ASN . 9.9 mt -53.45 -58.14 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 7.4 m-80 -34.38 -54.12 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.3 t -60.89 -49.55 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.4 mt -56.14 -35.16 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' THR . 13.2 mt -77.19 -60.68 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LEU . 19.1 p -34.24 -40.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 m -80.38 -57.09 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -75.67 101.64 5.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 150.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -149.39 146.15 27.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.464 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 4.3 ttpm? -76.34 139.67 68.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.546 0.689 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.9 Cg_endo -69.74 130.07 18.73 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.311 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -83.86 141.75 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 mtt -141.7 146.64 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.77 168.81 14.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 149.14 66.36 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.629 2.219 . . . . 0.0 112.342 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -179.64 3.06 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.646 2.231 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.4 p -131.43 36.13 3.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.86 60.01 9.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.556 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.09 25.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.393 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 m -55.15 125.85 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.2 t -57.6 109.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -71.08 -50.05 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 110.805 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 t -68.89 127.25 32.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -111.14 -148.87 11.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 24.2 t -36.5 119.4 0.62 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.5 p -138.47 119.15 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.82 68.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 14.8 p -128.33 146.61 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . 17.3 t70 -94.22 94.1 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' ASP . 23.5 mm-40 -36.58 -53.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -48.57 -41.46 30.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -78.67 -27.5 45.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tp -70.91 -60.43 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.02 -48.72 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -53.77 -42.56 68.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.1 mt -67.5 -49.93 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.3 p -51.24 -30.04 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -54.85 -26.71 37.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.0 mtt -90.78 20.76 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.58 68.49 1.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.541 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 14.6 m-85 -135.28 109.3 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' PHE . 2.0 m -34.57 127.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -45.73 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 7.0 pt-20 -63.4 -38.47 91.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -65.45 -51.84 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.7 t -65.89 -52.92 45.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -42.74 -67.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 29' ' ' ALA . 26.7 tp60 -44.57 -65.27 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . -35.52 -65.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.4 mt -43.47 -47.59 7.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 33.2 mtp -61.52 -38.69 88.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.53 -34.3 69.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 2.3 m-80 -97.91 28.25 4.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.01 70.95 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.431 ' ND2' ' HA ' ' A' ' 8' ' ' VAL . 7.2 m120 39.44 52.84 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.456 ' HB3' ' CB ' ' A' ' 39' ' ' ALA . 24.4 m-20 -96.4 104.27 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.7 tp -52.55 -62.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.501 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 1.4 mp0 -68.04 -68.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.469 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.61 -40.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 36' ' ' ASN . . . -45.56 -66.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.541 ' CD2' ' CE2' ' A' ' 21' ' ' PHE . 7.2 mt -48.87 -54.86 13.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.4 m-80 -36.34 -57.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.3 t -55.83 -40.2 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.1 mt -67.89 -34.46 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.3 mt -76.13 -64.32 1.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 47' ' ' SER . 13.9 t -39.38 -42.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.433 ' N ' HG23 ' A' ' 46' ' ' THR . 5.6 t -69.68 -62.94 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -47.16 -57.38 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -55.39 151.1 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -45.72 151.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.462 ' CD ' ' HD2' ' A' ' 52' ' ' PRO . 11.2 tptm -78.25 139.07 60.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' CD ' ' A' ' 51' ' ' LYS . 53.5 Cg_endo -69.79 -174.8 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.4 m -111.89 139.5 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.2 mtm -52.56 124.76 14.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.09 -95.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 157.28 60.88 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 155.17 66.78 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.1 t -161.79 142.81 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.77 146.99 18.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.451 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -37.7 8.74 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.6 m -38.28 106.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.6 t -51.77 141.36 17.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t 56.55 43.03 26.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m 48.7 39.46 13.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.801 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.03 -154.49 7.71 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p 43.04 38.01 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -107.78 102.94 12.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.31 58.88 0.39 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.96 152.06 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLU . 23.7 t0 -100.59 95.84 6.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' LEU . 1.8 mp0 -34.99 -56.21 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -41.79 -44.86 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -75.56 -28.69 59.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' GLU . 7.4 tp -69.97 -61.49 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -43.57 -57.92 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -39.88 -42.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.46 HD13 ' CB ' ' A' ' 40' ' ' ALA . 45.2 mt -74.42 -57.38 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -41.72 -34.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -59.01 -43.53 91.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mtt -59.88 -23.83 63.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.41 53.1 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.529 ' CE2' HD21 ' A' ' 41' ' ' LEU . 25.1 m-85 -126.21 132.69 51.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -45.74 128.79 8.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -51.88 -16.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -97.65 -43.28 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.58 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -74.48 -48.23 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -49.72 -57.95 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -56.94 -47.27 81.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.47 -61.41 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -43.22 -52.57 5.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.7 mtp -51.49 -31.63 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -80.8 -28.24 36.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -95.44 7.63 45.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.78 38.19 66.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 m120 71.62 32.8 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.411 ' CG ' ' HB3' ' A' ' 39' ' ' ALA . 6.0 t-20 -81.66 117.84 22.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.03 -52.15 63.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.9 mt-10 -70.41 -67.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.411 ' HB3' ' CG ' ' A' ' 36' ' ' ASN . . . -38.18 -38.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.46 ' CB ' HD13 ' A' ' 16' ' ' ILE . . . -45.61 -64.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.529 HD21 ' CE2' ' A' ' 21' ' ' PHE . 10.1 mt -52.15 -59.1 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.7 m-80 -35.3 -59.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.39 -36.94 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 41' ' ' LEU . 10.0 mt -72.98 -36.59 67.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.37 -63.61 1.29 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.9 t -40.68 -42.85 1.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.1 p -72.33 -45.7 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -104.36 86.75 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -48.65 132.96 17.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 4.7 pp0? -122.78 132.16 54.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.47 ' CD ' ' HD2' ' A' ' 52' ' ' PRO . 3.7 tppp? -85.36 139.15 36.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.47 ' HD2' ' CD ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.82 179.13 3.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 27.3 m -78.47 120.42 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.5 ttm -56.64 127.9 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.46 -95.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.62 67.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -178.31 2.3 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -156.83 123.59 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.21 -63.9 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.6 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.2 t -80.91 86.37 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.0 t -154.26 168.23 27.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -120.9 160.69 22.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.865 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t 67.0 42.44 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.47 -113.02 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -54.09 153.38 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -116.57 155.49 28.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.8 31.13 7.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 9' ' ' ASP . 7.1 p -124.55 149.84 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.361 . . . . 0.0 111.181 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 8' ' ' VAL . 23.7 t70 -94.97 93.87 7.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -41.43 -43.18 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -52.57 -42.71 64.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.94 -39.15 24.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tp -57.44 -50.2 73.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 tttt -53.19 -49.46 66.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -49.11 -44.09 41.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.465 HD12 ' CB ' ' A' ' 40' ' ' ALA . 54.6 mt -70.1 -60.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 16' ' ' ILE . 34.3 p -35.48 -37.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -52.19 -48.68 64.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.456 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 10.5 mtt -56.74 -24.31 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.74 65.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 36.2 m-85 -134.33 133.76 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' ALA . 1.1 t -52.07 121.66 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 22' ' ' SER . 10.9 tppt? -34.32 -39.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 12.6 pt-20 -71.5 -47.29 56.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' SER . . . -54.58 -50.93 66.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -69.67 -59.49 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.455 ' HG2' ' CG1' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -47.05 -66.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -43.29 -55.0 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.45 -54.18 15.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 35' ' ' ASN . 7.4 mt -50.04 -52.08 37.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.448 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 15.1 mtm -56.92 -33.88 67.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -41.23 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -86.4 -0.23 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.11 60.34 2.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.8 m120 47.64 30.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -82.02 102.62 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 tp -50.85 -52.85 37.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 9.8 mt-10 -65.23 -68.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -38.98 -43.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -39.33 -66.51 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.7 mt -49.85 -57.94 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.2 m-80 -34.05 -49.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.33 -43.98 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 41' ' ' LEU . 10.0 mt -62.14 -38.15 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 mt -75.26 -57.02 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 p -44.66 -49.64 10.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 t -57.68 -56.2 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -62.18 157.98 18.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -90.08 27.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -65.01 164.06 13.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 37.7 tttt -62.55 142.27 96.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 54.1 Cg_endo -69.77 148.14 64.35 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.6 p -121.96 140.36 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.4 tpp -101.46 130.64 47.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.55 146.25 17.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.57 66.94 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 120.29 7.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.0 p -105.64 168.72 8.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.35 -158.64 16.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 103.58 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 m -70.46 -47.61 59.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -125.27 174.63 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 63.25 42.03 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.355 . . . . 0.0 110.872 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -63.93 126.98 29.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.46 174.25 29.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -48.42 -49.69 34.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -113.11 173.23 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.67 24.04 8.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' HB ' ' CG ' ' A' ' 31' ' ' MET . 7.7 p -120.99 150.55 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.131 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -91.4 94.89 9.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -37.97 -50.5 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -47.56 -44.65 26.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.54 55.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -62.18 -59.85 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -42.85 -57.33 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -40.23 -38.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLU . 43.9 mt -77.21 -60.87 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 p -39.71 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.3 mm-40 -64.78 -45.7 85.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 16' ' ' ILE . 25.6 mtm -63.99 -19.8 65.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.48 72.09 0.71 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' SER . 34.2 m-85 -141.51 118.44 11.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' PHE . 3.0 t -34.45 112.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -38.29 -34.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.5 -49.72 30.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -52.01 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.6 OUTLIER -59.29 -60.71 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' SER . 46.9 ttt180 -36.24 -63.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -52.12 -54.04 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.08 -65.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.5 mt -45.78 -51.86 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.427 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 15.9 mtm -55.45 -32.73 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.05 -36.12 64.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -90.14 -6.85 54.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.16 52.92 2.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 60.75 27.78 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -77.66 108.64 11.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.3 tp -57.13 -58.82 6.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -66.41 -67.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.449 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -37.05 -42.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.98 -63.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 42' ' ' ASN . 5.8 mt -52.96 -58.09 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 7.2 m-80 -34.47 -51.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.3 t -60.58 -48.72 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 mt -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' SER . 24.8 mt -84.53 -68.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' LEU . 14.5 t -36.87 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 45' ' ' LEU . 4.4 t -84.27 -47.13 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 m-20 -78.4 78.88 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.48 149.52 31.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -44.29 129.81 6.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -121.59 144.41 40.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.709 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.55 2.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -74.09 118.58 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.8 mmt -150.8 153.41 35.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.74 -158.58 2.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.99 67.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.16 19.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.9 p -64.48 -176.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.24 -158.82 48.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.87 67.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.288 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -158.41 152.8 24.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.3 p -95.16 113.32 24.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 t -65.11 148.77 51.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 m -90.2 -58.32 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.85 -176.15 28.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -47.15 -57.99 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 p -83.84 152.98 24.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' SD ' ' A' ' 31' ' ' MET . . . -101.92 51.65 0.9 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.437 ' CG2' HD13 ' A' ' 30' ' ' LEU . 4.6 p -129.02 142.96 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 111.148 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -84.86 96.08 9.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -40.74 -49.93 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -47.76 -45.0 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.98 -30.27 55.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tp -69.09 -63.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' HIS . 24.1 ttpt -49.54 -56.11 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' LYS . 28.0 t60 -37.09 -42.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' GLU . 80.4 mt -71.71 -58.01 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ILE . 25.5 p -35.39 -31.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' ILE . 14.9 mm-40 -54.24 -49.6 69.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.473 ' HE2' ' CD1' ' A' ' 41' ' ' LEU . 29.2 mtm -59.4 -20.2 53.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.9 61.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.481 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 40.5 m-85 -132.84 113.1 12.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' PHE . 63.8 m -37.31 126.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -46.62 -31.87 3.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -68.67 -52.79 27.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.418 ' HB3' ' CD2' ' A' ' 44' ' ' LEU . . . -57.91 -43.88 86.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.074 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -69.03 -59.79 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -40.57 -57.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -53.22 -54.06 41.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.09 -67.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.437 HD13 ' CG2' ' A' ' 8' ' ' VAL . 10.2 mt -44.92 -54.29 6.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 7' ' ' GLY . 30.9 mmm -49.31 -27.8 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -87.1 -29.88 21.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . 2.6 m-80 -96.78 18.04 15.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' C ' ' OD1' ' A' ' 35' ' ' ASN . . . 59.66 40.59 96.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 34' ' ' GLY . 1.3 m120 72.6 45.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.427 ' CB ' ' HB3' ' A' ' 33' ' ' ASN . 17.8 t-20 -92.56 113.15 25.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.2 tp -63.75 -49.46 72.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.1 mt-10 -70.72 -68.4 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.455 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -40.71 -37.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.5 -66.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' HE2' ' A' ' 19' ' ' MET . 7.2 mt -50.38 -56.53 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.0 m-80 -33.54 -48.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -66.43 -50.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.481 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 7.5 mt -59.32 -25.77 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.72 -38.93 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.5 p -67.71 -43.38 80.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.6 p -59.95 -55.21 36.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.471 ' ND2' ' H ' ' A' ' 49' ' ' LYS . 7.5 t30 -52.33 -175.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' H ' ' ND2' ' A' ' 48' ' ' ASN . 4.3 pttp -93.65 28.51 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.73 157.34 33.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -66.02 143.89 98.59 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 134.17 27.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.387 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 m -110.38 147.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.3 ptm -92.77 130.27 38.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.68 146.37 14.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 159.72 52.33 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 92.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.6 p -138.55 154.16 48.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.29 81.46 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.13 47.3 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.5 p -137.18 166.22 24.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 93.0 p -113.66 141.89 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -114.89 -54.5 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.381 . . . . 0.0 110.892 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -69.73 -58.65 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.86 165.95 22.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 p -122.12 85.85 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.806 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -90.03 -44.88 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.54 -39.15 1.78 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.435 ' HB ' ' CG ' ' A' ' 31' ' ' MET . 4.7 p -97.92 146.28 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.38 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -83.5 100.89 11.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -46.8 -55.34 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -48.59 -43.41 35.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.59 -25.56 57.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.66 -66.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -44.66 -44.27 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -51.48 -36.69 45.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.428 HD12 ' CB ' ' A' ' 40' ' ' ALA . 38.2 mt -80.3 -57.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.7 p -40.41 -31.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.62 -45.46 73.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.3 mtt -58.66 -27.99 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.58 43.68 0.45 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.54 ' CE2' HD23 ' A' ' 41' ' ' LEU . 56.4 m-85 -111.54 143.6 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.876 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -61.8 130.24 44.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -53.01 -38.48 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -67.79 -38.29 83.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.16 -48.74 50.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -66.6 -47.04 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -50.51 -54.2 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -66.18 -55.42 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.0 -57.58 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.2 mt -47.95 -52.02 21.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.435 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 13.2 mtm -57.45 -35.32 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.58 -44.04 75.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -82.19 -12.97 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.81 58.98 1.65 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m120 54.61 37.38 27.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -88.1 101.83 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 tp -50.63 -55.84 14.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 5.6 mt-10 -71.21 -67.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HA ' ' ND2' ' A' ' 42' ' ' ASN . . . -36.69 -39.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -46.9 -63.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' A' ' 21' ' ' PHE . 7.5 mt -52.61 -56.8 12.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.6 m-80 -34.39 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.3 t -46.69 -51.67 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.49 -33.09 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.33 -59.76 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -55.31 -37.56 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.1 p -89.16 33.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -144.96 128.55 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.02 150.19 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.5 137.47 49.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 35.5 tttp -77.61 139.44 63.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 110.929 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.6 Cg_endo -69.75 148.03 64.2 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 m -107.16 106.43 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.3 ttm -80.66 43.68 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.14 -161.31 13.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.468 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.16 66.36 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.641 2.227 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 162.91 40.24 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.732 2.288 . . . . 0.0 112.339 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.0 p -75.39 109.54 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.6 83.39 1.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -19.76 35.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' SER . 23.3 p -95.35 142.64 27.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' SER . 11.3 t -36.77 132.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.589 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.2 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 8' ' ' VAL . 19.0 t0 -98.12 94.44 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' ASP . 22.5 mm-40 -35.82 -54.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -45.13 -45.12 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -73.43 -36.17 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.557 HD21 ' HE2' ' A' ' 23' ' ' LYS . 5.3 tp -60.79 -64.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -45.5 -60.31 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -40.23 -39.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.4 mt -77.68 -49.17 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 p -47.9 -35.46 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -49.41 -32.49 11.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 41' ' ' LEU . 47.5 mtm -88.39 26.1 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.38 73.33 0.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' SER . 35.2 m-85 -138.04 106.89 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' PHE . 73.1 p -36.63 126.64 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HE2' HD21 ' A' ' 13' ' ' LEU . 52.4 tttm -47.87 -40.34 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.44 -39.18 93.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' C ' HD21 ' A' ' 44' ' ' LEU . . . -69.2 -57.2 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.55 ' HA ' HD21 ' A' ' 44' ' ' LEU . 10.8 m -60.88 -39.62 89.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.589 ' HG3' HG11 ' A' ' 8' ' ' VAL . 64.5 ttt180 -56.18 -66.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -51.09 -57.02 9.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.43 -62.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 35' ' ' ASN . 8.2 mt -46.01 -49.2 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.474 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 14.8 mtm -61.94 -34.47 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.64 -41.17 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.564 HD21 HG21 ' A' ' 43' ' ' VAL . 2.9 m-80 -92.29 28.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.31 65.89 3.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' LEU . 19.1 m-80 41.58 43.26 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.65 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 30.1 m-20 -87.67 105.13 17.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.8 tp -50.84 -50.72 56.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' ALA . 4.5 mt-10 -71.93 -67.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.73 -40.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.83 -66.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.605 ' HA ' HD12 ' A' ' 44' ' ' LEU . 11.0 mt -49.33 -57.03 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.0 m120 -35.22 -53.72 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.564 HG21 HD21 ' A' ' 33' ' ' ASN . 93.4 t -63.84 -55.28 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.9 mt -50.65 -30.13 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' THR . 19.0 mt -85.06 -65.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 27' ' ' ARG . 5.5 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.801 0.334 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' GLU . 41.0 t0 -79.11 94.82 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ASP . 5.6 mt-10 -36.41 -55.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -44.05 -44.12 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -78.17 -38.48 43.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 17' ' ' THR . 4.0 tp -58.55 -56.76 17.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -55.01 -59.25 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -38.53 -33.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.541 HD12 HD11 ' A' ' 30' ' ' LEU . 59.0 mt -82.06 -58.95 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 13' ' ' LEU . 43.7 p -44.35 -28.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.75 -47.09 87.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 1.007 ' CE ' HD11 ' A' ' 41' ' ' LEU . 28.8 mtm -57.79 -24.97 59.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.5 63.44 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -134.59 153.33 52.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.9 m -73.13 120.37 18.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' SER . 42.6 tttm -37.32 -47.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.72 -51.08 70.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.13 -51.16 65.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 m -60.41 -51.38 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.74 ' HG3' HG11 ' A' ' 8' ' ' VAL . 34.0 ttp85 -45.78 -57.05 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -59.83 -54.86 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -41.33 -60.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.541 HD11 HD12 ' A' ' 16' ' ' ILE . 9.2 mt -56.05 -52.85 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.1 mmm -52.51 -22.84 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -89.49 -30.54 18.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.52 HD21 HG21 ' A' ' 43' ' ' VAL . 2.0 m-80 -100.77 30.76 3.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.45 51.84 48.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 48.98 46.76 22.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.766 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 65.9 m-20 -87.88 106.4 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 12' ' ' ALA . 46.5 tp -48.96 -54.08 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' ALA . 5.0 mt-10 -74.17 -67.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.766 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.7 -43.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -42.2 -65.99 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.007 HD11 ' CE ' ' A' ' 19' ' ' MET . 5.8 mt -49.96 -58.26 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' LEU . 9.6 m120 -34.42 -54.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.52 HG21 HD21 ' A' ' 33' ' ' ASN . 87.6 t -61.25 -43.73 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 41' ' ' LEU . 18.0 mt -61.67 -35.24 77.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' THR . 11.1 mt -82.97 -66.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LEU . 11.7 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.427 HG11 ' HG3' ' A' ' 27' ' ' ARG . 8.0 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 8' ' ' VAL . 61.1 t0 -98.41 97.91 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -40.0 -52.91 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -45.75 -45.76 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.423 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -73.82 -37.2 64.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.735 HD21 ' HD2' ' A' ' 23' ' ' LYS . 4.6 tp -60.53 -60.75 3.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -46.97 -56.3 6.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -41.24 -37.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.8 mt -79.79 -60.61 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.9 p -37.77 -35.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -53.83 -46.69 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.0 mtt -56.66 -23.95 45.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.99 57.82 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 37.3 m-85 -127.49 140.3 52.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -61.59 130.83 47.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.735 ' HD2' HD21 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -46.07 -36.48 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.65 -42.12 64.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HB1' ' CD2' ' A' ' 44' ' ' LEU . . . -62.79 -49.75 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 m -69.93 -53.77 16.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG3' HG11 ' A' ' 8' ' ' VAL . 39.9 ttm180 -49.7 -63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -50.68 -46.88 58.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.15 -67.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.427 ' CB ' HG23 ' A' ' 8' ' ' VAL . 10.2 mt -41.83 -50.68 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.7 mtp -52.61 -36.01 55.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -87.71 -17.21 32.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.411 HD22 ' N ' ' A' ' 33' ' ' ASN . 1.8 m-80 -106.5 30.89 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.76 50.09 26.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.429 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 m120 49.31 44.3 23.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.639 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 18.7 m-20 -89.77 105.75 18.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 12' ' ' ALA . 49.2 tp -50.57 -50.86 52.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.67 -68.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.639 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.69 -44.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.91 -67.36 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.51 HD23 ' CE2' ' A' ' 21' ' ' PHE . 9.3 mt -48.78 -57.54 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' HG22 ' A' ' 46' ' ' THR . 9.7 m120 -34.52 -57.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.01 -39.95 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.511 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 11.8 mt -72.05 -24.39 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 mt -86.1 -68.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 42' ' ' ASN . 8.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.487 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.6 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.801 0.334 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -92.38 95.64 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -41.23 -51.27 3.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -46.77 -44.52 19.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.91 -42.0 58.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tp -50.56 -57.71 7.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' HIS . 13.7 ttpt -47.03 -60.17 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' LYS . 55.0 t-80 -35.56 -39.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mt -78.42 -59.06 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 p -39.69 -40.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -50.78 -43.43 58.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.659 ' SD ' HD21 ' A' ' 41' ' ' LEU . 9.1 mtt -59.15 -25.35 63.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.48 41.57 0.79 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -112.52 144.24 42.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -61.45 125.69 24.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -48.38 -38.62 19.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -65.95 -45.17 82.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.96 -49.07 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -63.99 -40.66 96.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.487 ' HG3' HG11 ' A' ' 8' ' ' VAL . 37.7 ttm180 -59.45 -57.29 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -55.5 -59.23 5.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.14 -63.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 35' ' ' ASN . 9.6 mt -42.96 -49.67 5.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.4 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 21.6 mtp -60.38 -38.2 83.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.91 -38.2 76.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 3.1 m-80 -95.61 27.22 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.78 67.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.7 m-80 39.43 41.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.701 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 13.6 m-20 -87.34 99.0 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HA ' HD21 ' A' ' 30' ' ' LEU . 38.7 tp -47.67 -50.79 23.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.76 -67.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.701 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.88 -37.96 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.22 -65.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.659 HD21 ' SD ' ' A' ' 19' ' ' MET . 6.3 mt -49.46 -53.75 21.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -37.94 -58.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.7 t -59.16 -53.64 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 41' ' ' LEU . 16.1 mt -49.9 -34.73 21.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 46' ' ' THR . 32.7 mt -79.44 -64.01 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' LEU . 33.0 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 9' ' ' ASP . 5.7 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.863 0.364 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 8' ' ' VAL . 62.8 t0 -99.24 98.08 9.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -38.79 -55.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -42.92 -45.04 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.86 57.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.429 HD12 ' OG ' ' A' ' 26' ' ' SER . 6.9 tp -58.78 -54.96 41.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' HIS . 5.7 tptm -57.2 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' LYS . 62.9 t60 -34.4 -41.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.2 mt -72.64 -48.77 44.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.877 HG21 ' HE3' ' A' ' 23' ' ' LYS . 77.1 p -53.65 -24.75 15.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.87 -20.55 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.757 ' CE ' HD11 ' A' ' 41' ' ' LEU . 39.8 mtm -96.46 19.1 12.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.56 66.46 2.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' SER . 26.1 m-85 -132.04 119.38 20.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 4.1 m -37.52 122.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.877 ' HE3' HG21 ' A' ' 17' ' ' THR . 0.5 OUTLIER -39.82 -43.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.74 -44.16 57.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 22' ' ' SER . . . -46.99 -52.44 14.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.429 ' OG ' HD12 ' A' ' 13' ' ' LEU . 12.4 t -66.38 -58.79 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 26.8 ttt180 -38.3 -65.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -47.12 -64.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -39.88 -59.89 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -45.03 -52.23 9.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.2 mtp -57.05 -38.13 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.45 -45.69 75.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.629 HD21 HG21 ' A' ' 43' ' ' VAL . 4.8 m-80 -79.8 -13.98 59.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.07 58.29 1.6 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 m120 58.05 26.85 14.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.691 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 3.2 t-20 -75.11 110.86 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.29 -49.97 67.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.2 -67.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.602 ' HB3' ' CG ' ' A' ' 36' ' ' ASN . . . -40.37 -39.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -42.12 -67.99 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.757 HD11 ' CE ' ' A' ' 19' ' ' MET . 6.8 mt -48.54 -55.56 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.0 m120 -36.88 -52.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.629 HG21 HD21 ' A' ' 33' ' ' ASN . 88.4 t -64.08 -49.57 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 25' ' ' ALA . 7.8 mt -62.39 -20.53 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.48 -65.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG23 ' CB ' ' A' ' 30' ' ' LEU . 12.0 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 12' ' ' ALA . 26.4 t70 -96.05 94.8 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ASP . 17.6 mt-10 -34.45 -54.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -46.37 -44.86 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -73.56 -31.25 63.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.615 HD12 ' HB2' ' A' ' 26' ' ' SER . 8.2 tp -65.84 -62.66 1.38 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.85 -55.5 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -42.19 -36.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.0 mt -79.04 -47.07 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -55.07 -25.58 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.88 -13.9 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.0 mtm -103.5 23.04 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.16 57.87 5.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -129.41 118.79 22.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -37.97 132.77 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -54.45 -14.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.38 -43.82 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.18 -46.32 62.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.615 ' HB2' HD12 ' A' ' 13' ' ' LEU . 7.4 m -75.37 -50.02 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -45.34 -59.98 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -52.15 -58.8 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.92 -58.04 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' CB ' HG23 ' A' ' 8' ' ' VAL . 10.8 mt -45.7 -49.37 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 28.5 mtp -58.91 -31.31 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -77.78 -43.84 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.48 HD21 HG21 ' A' ' 43' ' ' VAL . 11.1 m-80 -79.4 -13.7 59.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.55 61.51 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 51.19 30.36 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.706 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 16.3 m-20 -79.36 107.02 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 12' ' ' ALA . 48.3 tp -55.32 -59.82 4.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -69.2 -67.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.706 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.7 -38.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -48.37 -65.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 44' ' ' LEU . 8.0 mt -49.37 -53.94 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.3 m120 -36.77 -54.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.48 HG21 HD21 ' A' ' 33' ' ' ASN . 71.4 t -60.53 -35.16 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.2 mt -76.8 -23.9 52.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.47 -62.23 1.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.707 HG11 ' HG3' ' A' ' 27' ' ' ARG . 3.1 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.814 0.34 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 8' ' ' VAL . 24.7 t0 -90.29 96.46 10.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -42.84 -50.43 5.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -46.56 -45.8 18.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.39 -39.76 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.546 HD21 ' HD2' ' A' ' 23' ' ' LYS . 3.3 tp -58.58 -61.56 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -46.37 -49.22 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -47.14 -39.63 13.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' THR . 51.5 mt -77.3 -60.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ILE . 73.4 p -35.56 -35.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.5 mm-40 -51.45 -49.37 61.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.4 mtt -57.74 -29.46 64.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.22 65.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.546 ' CE2' HD23 ' A' ' 41' ' ' LEU . 40.4 m-85 -129.57 148.42 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.9 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -64.19 125.01 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HD2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -45.26 -45.98 12.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.41 -39.15 88.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.66 -57.19 10.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.41 ' HB2' HD12 ' A' ' 13' ' ' LEU . 13.1 m -64.13 -44.01 93.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.707 ' HG3' HG11 ' A' ' 8' ' ' VAL . 30.2 ttm-85 -56.42 -54.25 47.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -62.19 -51.04 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.63 -58.51 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -46.84 -53.82 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.9 mtp -52.15 -23.9 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -87.83 -29.24 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -98.55 17.38 19.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' C ' ' OD1' ' A' ' 35' ' ' ASN . . . 62.77 37.83 95.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER 72.97 38.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.523 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 30.6 t-20 -85.76 112.99 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.21 -48.74 74.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.09 -68.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -39.77 -43.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -38.56 -67.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.1 mt -48.95 -57.72 6.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' LEU . 9.7 m120 -35.01 -60.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.41 -52.69 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 41' ' ' LEU . 9.9 mt -52.84 -32.27 43.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' THR . 19.2 mt -79.54 -62.45 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LEU . 14.4 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.594 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.1 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.891 0.377 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -90.63 100.47 13.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -44.98 -55.43 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 2.4 mmpt? -43.28 -48.04 6.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.31 -36.0 74.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 23' ' ' LYS . 3.9 tp -59.51 -53.03 62.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -54.96 -55.17 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -41.53 -43.4 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' THR . 30.6 mt -74.05 -61.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' ILE . 72.4 p -35.9 -39.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -45.34 -48.57 13.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.3 mtt -56.66 -31.68 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.6 51.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CE2' HD23 ' A' ' 41' ' ' LEU . 60.7 m-85 -123.47 128.13 49.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -51.84 121.37 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.731 ' HG2' HD21 ' A' ' 13' ' ' LEU . 26.5 tttt -43.26 -39.88 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 11.0 pt-20 -63.81 -42.75 97.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -66.18 -55.47 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.492 ' CB ' HD12 ' A' ' 13' ' ' LEU . 41.6 m -58.08 -46.42 85.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.594 ' HG3' HG11 ' A' ' 8' ' ' VAL . 9.4 ttt-85 -49.47 -63.41 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -52.71 -58.29 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.03 -63.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' HB2' HG23 ' A' ' 8' ' ' VAL . 13.6 mt -41.22 -52.67 3.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.418 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 6.8 mtt -48.68 -36.96 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.56 -37.88 65.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' CB ' ' HB2' ' A' ' 36' ' ' ASN . 5.4 m-80 -92.23 30.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.17 49.0 31.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 56.77 40.8 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.627 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 11.1 m-20 -85.84 107.73 17.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.5 tp -50.73 -53.1 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' ALA . 4.4 mt-10 -69.73 -67.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.627 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.76 -41.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.13 -66.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.476 HD23 ' CE2' ' A' ' 21' ' ' PHE . 8.7 mt -48.85 -55.94 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.1 m120 -34.83 -62.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.4 t -51.45 -55.54 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.7 mt -50.8 -38.86 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.8 mt -70.9 -59.68 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.65 HG11 ' HG3' ' A' ' 27' ' ' ARG . 6.2 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.808 0.337 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 8' ' ' VAL . 12.1 t70 -90.46 99.93 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -46.85 -53.84 11.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -45.9 -44.69 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.77 -32.97 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.729 HD21 ' HD2' ' A' ' 23' ' ' LYS . 3.4 tp -61.76 -62.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -48.0 -51.33 24.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -43.66 -38.02 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.5 mt -77.17 -43.32 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -56.21 -27.33 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -58.97 -20.34 51.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.678 ' CE ' HD11 ' A' ' 41' ' ' LEU . 36.2 mtm -97.67 15.97 21.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.85 67.44 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' SER . 25.2 m-85 -135.01 110.15 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' PHE . 24.8 m -35.41 129.46 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.729 ' HD2' HD21 ' A' ' 13' ' ' LEU . 5.6 tppt? -45.82 -43.36 13.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -67.0 -41.81 86.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.78 80.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 m -67.84 -54.31 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.65 ' HG3' HG11 ' A' ' 8' ' ' VAL . 75.0 ttt180 -48.25 -57.56 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -46.78 -54.89 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ASP . . . -51.29 -66.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 13' ' ' LEU . 13.7 mt -42.69 -39.65 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.4 mmm -69.05 -33.14 73.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' ALA . 1.2 m-20 -78.78 -56.24 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.513 HD21 HG21 ' A' ' 43' ' ' VAL . 8.3 m-80 -68.02 -27.66 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' ASN . . . 98.72 83.44 1.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' GLY . 3.1 m120 37.74 30.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.911 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 6.1 m120 -80.08 97.87 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.4 tp -54.01 -56.2 20.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' ALA . 4.2 mt-10 -71.12 -67.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.98 -44.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -39.86 -68.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.759 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.7 mt -47.98 -57.93 5.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.492 ' O ' HG23 ' A' ' 46' ' ' THR . 10.0 m120 -34.48 -52.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.513 HG21 HD21 ' A' ' 33' ' ' ASN . 74.4 t -65.27 -40.72 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.9 mt -63.93 -31.51 72.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' THR . 25.4 mt -81.44 -52.56 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 42' ' ' ASN . 21.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.408 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 2.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -79.72 95.84 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -43.5 -51.99 6.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -44.55 -46.12 9.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 -36.62 71.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.768 HD21 ' HD2' ' A' ' 23' ' ' LYS . 6.2 tp -62.15 -56.51 18.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -51.82 -60.23 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -39.83 -34.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' MET . 77.5 mt -82.41 -60.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.5 p -39.21 -43.56 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.46 -42.5 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.752 ' SD ' HD11 ' A' ' 41' ' ' LEU . 5.9 mtt -56.57 -26.02 54.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.59 44.08 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 42.7 m-85 -119.99 138.4 53.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 23' ' ' LYS . 5.0 m -60.14 123.75 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.768 ' HD2' HD21 ' A' ' 13' ' ' LEU . 18.6 tptp -37.26 -55.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -57.99 -47.58 82.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.64 -52.76 62.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.487 ' HB3' HD12 ' A' ' 13' ' ' LEU . 8.5 t -62.19 -48.49 79.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -48.52 -58.62 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -50.46 -59.37 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.43 ' C ' ' OD1' ' A' ' 33' ' ' ASN . . . -42.96 -61.76 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 13' ' ' LEU . 14.3 mt -45.57 -50.66 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.1 mmm -57.85 -25.59 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -92.43 -23.51 19.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.515 ' ND2' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -97.94 30.87 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.26 25.62 12.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 8' ' ' VAL . 3.4 m120 71.32 48.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.882 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 3.8 t-20 -98.16 116.45 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.6 tp -56.08 -50.95 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 4.8 mt-10 -73.18 -68.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.882 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -37.86 -43.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -40.3 -67.99 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.752 HD11 ' SD ' ' A' ' 19' ' ' MET . 6.7 mt -48.25 -57.62 5.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.514 ' O ' HG22 ' A' ' 46' ' ' THR . 10.0 m120 -34.66 -56.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.515 HG21 ' ND2' ' A' ' 33' ' ' ASN . 79.7 t -58.8 -44.69 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 41' ' ' LEU . 17.2 mt -62.04 -31.72 72.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 46' ' ' THR . 18.2 mt -83.24 -68.01 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 42' ' ' ASN . 11.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.474 HG11 ' HG3' ' A' ' 27' ' ' ARG . 6.3 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -94.02 95.94 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.96 -52.32 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -45.04 -44.69 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.14 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.41 -61.77 2.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -46.12 -60.2 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -39.11 -36.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' THR . 38.7 mt -79.82 -62.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' ILE . 66.7 p -36.36 -35.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -54.46 -48.76 71.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.6 mtt -56.6 -18.99 13.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.04 57.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -129.65 130.56 45.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 t -47.52 119.02 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -39.75 -42.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -65.39 -46.23 80.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.03 85.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -68.08 -49.74 59.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.474 ' HG3' HG11 ' A' ' 8' ' ' VAL . 41.2 ttt180 -47.2 -62.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' ALA . 2.4 tp-100 -51.62 -63.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . -35.78 -55.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' ASN . 10.6 mt -50.44 -49.92 53.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.0 mtt -59.29 -39.2 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.89 -37.55 76.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 61.0 m-80 -94.04 23.9 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.03 65.24 3.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.3 m-80 42.95 40.33 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.789 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 16.7 m-20 -84.14 109.18 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.5 tp -54.89 -53.47 54.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' ALA . 2.9 mt-10 -73.14 -67.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.789 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.45 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -55.06 -56.22 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.2 mt -64.06 -54.69 30.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -39.8 -52.15 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.42 -41.28 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 41' ' ' LEU . 14.8 mt -64.56 -34.03 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.97 -47.07 26.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.921 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.757 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.1 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -85.77 100.79 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -41.85 -52.34 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -43.98 -45.48 7.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.07 -35.65 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 26' ' ' SER . 3.3 tp -62.21 -56.64 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -54.46 -47.55 72.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.462 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 55.8 t-80 -51.91 -34.65 42.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.3 mt -79.42 -55.16 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p -42.92 -40.15 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.01 -44.2 60.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.792 ' SD ' HD11 ' A' ' 41' ' ' LEU . 6.0 mtt -58.39 -26.69 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.42 59.31 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.56 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 35.9 m-85 -127.98 163.69 23.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -80.92 124.32 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -37.91 -47.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 17.9 pt-20 -65.3 -48.27 73.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -55.67 -48.06 75.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.506 ' HB2' HD12 ' A' ' 13' ' ' LEU . 14.4 m -67.02 -51.67 51.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.757 ' HG3' HG11 ' A' ' 8' ' ' VAL . 65.9 ttt180 -52.81 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -50.61 -49.11 57.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.66 -63.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -45.5 -50.13 13.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.42 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 22.4 mtp -55.82 -31.21 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -81.6 -24.22 36.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.742 HD21 HG21 ' A' ' 43' ' ' VAL . 10.1 m-80 -106.33 28.49 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.56 52.29 46.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 50.25 42.33 25.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.679 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 47.6 m-20 -88.43 109.27 19.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 tp -50.78 -56.44 12.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' ALA . 4.6 mt-10 -69.07 -67.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.679 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.73 -43.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -41.71 -65.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.792 HD11 ' SD ' ' A' ' 19' ' ' MET . 11.0 mt -50.5 -57.36 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 41' ' ' LEU . 9.4 m120 -34.63 -50.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.742 HG21 HD21 ' A' ' 33' ' ' ASN . 96.6 t -64.73 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 41' ' ' LEU . 8.3 mt -66.92 -29.44 69.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.87 -60.78 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.553 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.4 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -95.15 96.33 9.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.09 -55.61 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 2.2 mppt? -46.45 -44.46 17.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.54 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.408 ' HA ' HD11 ' A' ' 30' ' ' LEU . 3.8 tp -60.23 -56.14 25.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.8 -58.46 3.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -39.31 -41.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.4 mt -74.03 -62.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -40.42 -40.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -49.76 -43.84 48.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 36.5 mtt -57.04 -30.74 64.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.94 47.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 47.4 m-85 -118.33 140.32 50.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.4 m -55.9 120.3 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -39.39 -46.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.5 -44.69 90.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.1 -48.09 81.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -68.8 -59.92 2.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.553 ' HG3' HG11 ' A' ' 8' ' ' VAL . 42.0 ttm180 -40.19 -59.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -54.82 -46.08 74.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.03 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' A' ' 13' ' ' LEU . 9.9 mt -41.94 -52.08 4.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 35.9 mtp -49.72 -43.37 47.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -68.54 -37.96 80.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' HG21 ' A' ' 43' ' ' VAL . 20.2 m-80 -91.82 30.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.2 54.46 12.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 52.0 47.78 24.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.819 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 19.3 m-20 -90.84 103.23 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.1 tp -45.78 -57.22 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' ALA . 7.1 mt-10 -72.2 -67.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.819 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.88 -38.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -46.35 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.806 ' HA ' HD12 ' A' ' 44' ' ' LEU . 6.4 mt -49.05 -57.03 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.9 m120 -34.5 -57.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.439 HG21 ' OD1' ' A' ' 33' ' ' ASN . 95.5 t -53.71 -42.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' A' ' 41' ' ' LEU . 8.0 mt -67.79 -35.81 79.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.83 -60.03 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.619 HG11 ' HG3' ' A' ' 27' ' ' ARG . 5.8 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.838 0.351 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -79.75 95.81 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -41.27 -47.51 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -48.58 -44.19 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.98 -32.31 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.52 -58.17 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -44.83 -55.88 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -44.64 -41.6 6.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' THR . 75.7 mt -73.98 -61.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ILE . 41.2 p -36.91 -34.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -53.86 -47.79 70.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.8 mtt -56.42 -28.29 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.11 49.47 0.45 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -118.06 126.14 51.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.7 m -43.98 122.29 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -41.51 -33.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -72.3 -48.61 40.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.78 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -67.17 -60.78 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.619 ' HG3' HG11 ' A' ' 8' ' ' VAL . 11.8 ttt85 -38.85 -56.84 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -57.21 -61.75 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.44 -57.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -47.3 -52.3 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.3 mtp -57.7 -27.38 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.88 -43.33 20.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.549 HD21 HG21 ' A' ' 43' ' ' VAL . 51.1 m-80 -80.63 -7.37 59.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.83 56.16 2.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 56.08 33.16 21.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.821 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 3.2 t-20 -88.28 108.18 19.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -56.89 -50.75 71.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.97 -68.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.821 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -38.69 -41.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.83 -62.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.615 ' HA ' HD12 ' A' ' 44' ' ' LEU . 9.9 mt -53.45 -58.14 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' LEU . 9.0 m120 -34.38 -54.12 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 33' ' ' ASN . 69.3 t -60.89 -49.55 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 41' ' ' LEU . 17.4 mt -56.14 -35.16 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' THR . 13.2 mt -77.19 -60.68 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LEU . 19.1 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.593 HG11 ' HG3' ' A' ' 27' ' ' ARG . 14.8 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . 17.3 t70 -94.22 94.1 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' ASP . 23.5 mm-40 -36.58 -53.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -48.57 -41.46 30.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -78.67 -27.5 45.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tp -70.91 -60.43 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.02 -48.72 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -53.77 -42.56 68.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.545 HD12 HD11 ' A' ' 30' ' ' LEU . 94.1 mt -67.5 -49.93 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.3 p -51.24 -30.04 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -54.85 -26.71 37.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.0 mtt -90.78 20.76 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.58 68.49 1.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.541 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 14.6 m-85 -135.28 109.3 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' PHE . 2.0 m -34.57 127.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -45.73 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 7.0 pt-20 -63.4 -38.47 91.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.453 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -65.45 -51.84 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.7 t -65.89 -52.92 45.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.593 ' HG3' HG11 ' A' ' 8' ' ' VAL . 38.3 ttm180 -42.74 -67.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 29' ' ' ALA . 26.7 tp60 -44.57 -65.27 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . -35.52 -65.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.545 HD11 HD12 ' A' ' 16' ' ' ILE . 8.4 mt -43.47 -47.59 7.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 33.2 mtp -61.52 -38.69 88.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.53 -34.3 69.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.518 HD21 HG21 ' A' ' 43' ' ' VAL . 2.3 m-80 -97.91 28.25 4.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.01 70.95 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 39.44 52.84 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.96 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 24.4 m-20 -96.4 104.27 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.7 tp -52.55 -62.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' ALA . 1.4 mp0 -68.04 -68.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.96 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.61 -40.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -45.56 -66.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.724 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.2 mt -48.87 -54.86 13.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.1 m120 -36.34 -57.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.518 HG21 HD21 ' A' ' 33' ' ' ASN . 84.3 t -55.83 -40.2 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 41' ' ' LEU . 11.1 mt -67.89 -34.46 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.3 mt -76.13 -64.32 1.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.497 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLU . 23.7 t0 -100.59 95.84 6.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' LEU . 1.8 mp0 -34.99 -56.21 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -41.79 -44.86 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -75.56 -28.69 59.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' GLU . 7.4 tp -69.97 -61.49 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -43.57 -57.92 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -39.88 -42.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.2 mt -74.42 -57.38 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -41.72 -34.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -59.01 -43.53 91.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.634 ' SD ' HD11 ' A' ' 41' ' ' LEU . 3.0 mtt -59.88 -23.83 63.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.41 53.1 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.535 ' CE2' HD23 ' A' ' 41' ' ' LEU . 25.1 m-85 -126.21 132.69 51.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -45.74 128.79 8.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -51.88 -16.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -97.65 -43.28 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.58 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -74.48 -48.23 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.497 ' HG3' HG11 ' A' ' 8' ' ' VAL . 48.5 ttp85 -49.72 -57.95 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -56.94 -47.27 81.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.47 -61.41 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -43.22 -52.57 5.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.7 mtp -51.49 -31.63 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -80.8 -28.24 36.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -95.44 7.63 45.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.78 38.19 66.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 m120 71.62 32.8 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.769 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 6.0 t-20 -81.66 117.84 22.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.03 -52.15 63.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.41 -67.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.769 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -38.18 -38.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -45.61 -64.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.715 ' HA ' HD12 ' A' ' 44' ' ' LEU . 10.1 mt -52.15 -59.1 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.479 ' O ' HG22 ' A' ' 46' ' ' THR . 8.8 m120 -35.3 -59.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.39 -36.94 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.0 mt -72.98 -36.59 67.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.37 -63.61 1.29 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 42' ' ' ASN . 12.9 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.662 HG11 ' HG2' ' A' ' 27' ' ' ARG . 7.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.857 0.361 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -94.97 93.87 7.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -41.43 -43.18 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -52.57 -42.71 64.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.94 -39.15 24.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.771 HD21 ' HD2' ' A' ' 23' ' ' LYS . 7.6 tp -57.44 -50.2 73.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 tttt -53.19 -49.46 66.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -49.11 -44.09 41.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 17' ' ' THR . 54.6 mt -70.1 -60.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 16' ' ' ILE . 34.3 p -35.48 -37.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -52.19 -48.68 64.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.5 mtt -56.74 -24.31 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.74 65.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 36.2 m-85 -134.33 133.76 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' ALA . 1.1 t -52.07 121.66 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.771 ' HD2' HD21 ' A' ' 13' ' ' LEU . 10.9 tppt? -34.32 -39.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 12.6 pt-20 -71.5 -47.29 56.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' SER . . . -54.58 -50.93 66.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -69.67 -59.49 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.662 ' HG2' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -47.05 -66.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -43.29 -55.0 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.45 -54.18 15.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 35' ' ' ASN . 7.4 mt -50.04 -52.08 37.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.456 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 15.1 mtm -56.92 -33.88 67.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -41.23 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -86.4 -0.23 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.11 60.34 2.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.8 m120 47.64 30.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.877 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 3.2 t-20 -82.02 102.62 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 tp -50.85 -52.85 37.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -65.23 -68.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.877 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -38.98 -43.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.33 -66.51 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.62 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.7 mt -49.85 -57.94 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' LEU . 9.7 m120 -34.05 -49.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.33 -43.98 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.0 mt -62.14 -38.15 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 mt -75.26 -57.02 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.8 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.7 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.831 0.348 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -91.4 94.89 9.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -37.97 -50.5 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -47.56 -44.65 26.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.54 55.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.584 HD12 ' HB2' ' A' ' 26' ' ' SER . 8.1 tp -62.18 -59.85 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -42.85 -57.33 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -40.23 -38.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLU . 43.9 mt -77.21 -60.87 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 p -39.71 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.3 mm-40 -64.78 -45.7 85.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.699 ' CE ' HD11 ' A' ' 41' ' ' LEU . 25.6 mtm -63.99 -19.8 65.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.48 72.09 0.71 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' SER . 34.2 m-85 -141.51 118.44 11.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' PHE . 3.0 t -34.45 112.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -38.29 -34.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.5 -49.72 30.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -52.01 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.584 ' HB2' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -59.29 -60.71 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.8 ' HG3' HG11 ' A' ' 8' ' ' VAL . 46.9 ttt180 -36.24 -63.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -52.12 -54.04 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.08 -65.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 36' ' ' ASN . 6.5 mt -45.78 -51.86 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.434 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 15.9 mtm -55.45 -32.73 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.05 -36.12 64.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.629 HD21 HG21 ' A' ' 43' ' ' VAL . 2.5 m-80 -90.14 -6.85 54.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.16 52.92 2.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 60.75 27.78 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.688 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 58.7 m-20 -77.66 108.64 11.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.3 tp -57.13 -58.82 6.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -66.41 -67.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.688 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -37.05 -42.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -42.98 -63.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.699 HD11 ' CE ' ' A' ' 19' ' ' MET . 5.8 mt -52.96 -58.09 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 41' ' ' LEU . 8.9 m120 -34.47 -51.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.629 HG21 HD21 ' A' ' 33' ' ' ASN . 97.3 t -60.58 -48.72 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 41' ' ' LEU . 6.0 mt -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' THR . 24.8 mt -84.53 -68.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' LEU . 14.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.775 0.321 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -84.86 96.08 9.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -40.74 -49.93 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -47.76 -45.0 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -76.98 -30.27 55.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 27' ' ' ARG . 8.7 tp -69.09 -63.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' HIS . 24.1 ttpt -49.54 -56.11 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' LYS . 28.0 t60 -37.09 -42.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' GLU . 80.4 mt -71.71 -58.01 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ILE . 25.5 p -35.39 -31.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' ILE . 14.9 mm-40 -54.24 -49.6 69.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.694 ' HE3' HD21 ' A' ' 41' ' ' LEU . 29.2 mtm -59.4 -20.2 53.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.9 61.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 40.5 m-85 -132.84 113.1 12.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' PHE . 63.8 m -37.31 126.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -46.62 -31.87 3.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -68.67 -52.79 27.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.88 86.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.074 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.444 ' HB2' HD12 ' A' ' 13' ' ' LEU . 3.2 p -69.03 -59.79 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' A' ' 13' ' ' LEU . 17.0 ttp180 -40.57 -57.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -53.22 -54.06 41.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.09 -67.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 36' ' ' ASN . 10.2 mt -44.92 -54.29 6.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.9 mmm -49.31 -27.8 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -87.1 -29.88 21.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.458 ' OD1' ' HB1' ' A' ' 39' ' ' ALA . 2.6 m-80 -96.78 18.04 15.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' C ' ' OD1' ' A' ' 35' ' ' ASN . . . 59.66 40.59 96.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 34' ' ' GLY . 1.3 m120 72.6 45.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.612 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 17.8 t-20 -92.56 113.15 25.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 12' ' ' ALA . 55.2 tp -63.75 -49.46 72.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -70.72 -68.4 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -40.71 -37.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -44.5 -66.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.694 HD21 ' HE3' ' A' ' 19' ' ' MET . 7.2 mt -50.38 -56.53 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 46' ' ' THR . 10.3 m120 -33.54 -48.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -66.43 -50.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 7.5 mt -59.32 -25.77 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.72 -38.93 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 42' ' ' ASN . 55.5 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.821 HG11 ' HG3' ' A' ' 27' ' ' ARG . 4.7 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.897 0.38 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 10.3 t70 -83.5 100.89 11.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -46.8 -55.34 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -48.59 -43.41 35.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . . . -75.59 -25.56 57.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 26' ' ' SER . 6.1 tp -72.66 -66.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -44.66 -44.27 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -51.48 -36.69 45.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.2 mt -80.3 -57.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.7 p -40.41 -31.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.62 -45.46 73.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.3 mtt -58.66 -27.99 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.58 43.68 0.45 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.539 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 56.4 m-85 -111.54 143.6 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.876 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -61.8 130.24 44.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -53.01 -38.48 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -67.79 -38.29 83.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.16 -48.74 50.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.621 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.2 m -66.6 -47.04 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.821 ' HG3' HG11 ' A' ' 8' ' ' VAL . 20.1 ttm180 -50.51 -54.2 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -66.18 -55.42 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.0 -57.58 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' CB ' HG23 ' A' ' 8' ' ' VAL . 9.2 mt -47.95 -52.02 21.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.442 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 13.2 mtm -57.45 -35.32 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.58 -44.04 75.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -82.19 -12.97 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.81 58.98 1.65 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m120 54.61 37.38 27.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.734 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 3.1 m-20 -88.1 101.83 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 tp -50.63 -55.84 14.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' ALA . 5.6 mt-10 -71.21 -67.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.734 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.69 -39.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -46.9 -63.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.5 mt -52.61 -56.8 12.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' LEU . 9.5 m120 -34.39 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.3 t -46.69 -51.67 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.0 mt -60.49 -33.09 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.33 -59.76 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -113.77 137.38 51.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t 56.66 41.14 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.07 106.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t -141.55 156.17 45.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.3 m -49.28 176.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.59 30.68 3.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.589 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.2 p -121.96 153.48 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 8' ' ' VAL . 19.0 t0 -98.12 94.44 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' ASP . 22.5 mm-40 -35.82 -54.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -45.13 -45.12 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -73.43 -36.17 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.557 HD21 ' HE2' ' A' ' 23' ' ' LYS . 5.3 tp -60.79 -64.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -45.5 -60.31 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -40.23 -39.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.4 mt -77.68 -49.17 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 p -47.9 -35.46 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -49.41 -32.49 11.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 41' ' ' LEU . 47.5 mtm -88.39 26.1 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.38 73.33 0.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' SER . 35.2 m-85 -138.04 106.89 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' PHE . 73.1 p -36.63 126.64 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HE2' HD21 ' A' ' 13' ' ' LEU . 52.4 tttm -47.87 -40.34 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.44 -39.18 93.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' C ' HD21 ' A' ' 44' ' ' LEU . . . -69.2 -57.2 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.55 ' HA ' HD21 ' A' ' 44' ' ' LEU . 10.8 m -60.88 -39.62 89.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.589 ' HG3' HG11 ' A' ' 8' ' ' VAL . 64.5 ttt180 -56.18 -66.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -51.09 -57.02 9.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.43 -62.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 35' ' ' ASN . 8.2 mt -46.01 -49.2 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.474 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 14.8 mtm -61.94 -34.47 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.64 -41.17 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.564 HD21 HG21 ' A' ' 43' ' ' VAL . 2.9 m-80 -92.29 28.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.31 65.89 3.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' LEU . 13.8 m120 41.58 43.26 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.65 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 30.1 m-20 -87.67 105.13 17.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.8 tp -50.84 -50.72 56.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' ALA . 4.5 mt-10 -71.93 -67.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.73 -40.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.83 -66.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.605 ' HA ' HD12 ' A' ' 44' ' ' LEU . 11.0 mt -49.33 -57.03 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.0 m120 -35.22 -53.72 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.564 HG21 HD21 ' A' ' 33' ' ' ASN . 93.4 t -63.84 -55.28 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.9 mt -50.65 -30.13 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' THR . 19.0 mt -85.06 -65.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.3 p -34.98 -49.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.7 m -66.47 -45.1 80.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' LEU . 7.8 t-20 -71.53 139.31 49.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 84.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -144.12 148.77 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -96.14 143.93 26.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.538 0.685 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 121.91 8.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.0 t -111.74 96.39 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' GLY . 18.3 ttm -108.4 76.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' MET . . . 37.98 -158.12 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 152.75 69.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 103.58 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -88.09 -35.22 17.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.09 145.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.9 p -149.46 148.47 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 t -79.27 91.82 5.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 t -85.14 -60.46 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -62.12 172.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.2 96.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -150.58 121.11 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.804 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -172.14 130.62 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.15 -40.68 98.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 27' ' ' ARG . 5.5 p -78.65 144.11 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' GLU . 41.0 t0 -79.11 94.82 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ASP . 5.6 mt-10 -36.41 -55.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -44.05 -44.12 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -78.17 -38.48 43.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 17' ' ' THR . 4.0 tp -58.55 -56.76 17.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -55.01 -59.25 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -38.53 -33.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.541 HD12 HD11 ' A' ' 30' ' ' LEU . 59.0 mt -82.06 -58.95 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 13' ' ' LEU . 43.7 p -44.35 -28.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.75 -47.09 87.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 1.007 ' CE ' HD11 ' A' ' 41' ' ' LEU . 28.8 mtm -57.79 -24.97 59.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.5 63.44 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -134.59 153.33 52.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.9 m -73.13 120.37 18.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' SER . 42.6 tttm -37.32 -47.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.72 -51.08 70.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.13 -51.16 65.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 m -60.41 -51.38 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.74 ' HG3' HG11 ' A' ' 8' ' ' VAL . 34.0 ttp85 -45.78 -57.05 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -59.83 -54.86 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -41.33 -60.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.541 HD11 HD12 ' A' ' 16' ' ' ILE . 9.2 mt -56.05 -52.85 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.1 mmm -52.51 -22.84 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -89.49 -30.54 18.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.52 HD21 HG21 ' A' ' 43' ' ' VAL . 2.0 m-80 -100.77 30.76 3.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.45 51.84 48.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 48.98 46.76 22.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.766 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 65.9 m-20 -87.88 106.4 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 12' ' ' ALA . 46.5 tp -48.96 -54.08 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' ALA . 5.0 mt-10 -74.17 -67.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.766 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.7 -43.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -42.2 -65.99 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.007 HD11 ' CE ' ' A' ' 19' ' ' MET . 5.8 mt -49.96 -58.26 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' LEU . 9.6 m120 -34.42 -54.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.52 HG21 HD21 ' A' ' 33' ' ' ASN . 87.6 t -61.25 -43.73 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 41' ' ' LEU . 18.0 mt -61.67 -35.24 77.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' THR . 11.1 mt -82.97 -66.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LEU . 11.7 p -34.18 -37.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' LEU . 21.8 m -76.54 -57.23 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' C ' ' OD1' ' A' ' 48' ' ' ASN . 27.5 p30 -72.8 170.55 14.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -78.01 91.7 4.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -37.86 154.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -116.13 147.06 38.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 123.21 9.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.9 t -75.27 120.35 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.7 mmt -83.66 102.66 12.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.42 172.3 20.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.45 34.49 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.731 2.288 . . . . 0.0 112.305 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 87.27 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.8 m -117.63 174.76 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.61 81.21 0.35 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 102.14 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.284 . . . . 0.0 112.316 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.2 p -151.12 109.53 3.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.6 p -172.65 173.7 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -38.94 105.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -70.02 -44.72 68.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.65 -56.38 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -66.93 171.38 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -65.82 177.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.43 42.41 1.97 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG11 ' HG3' ' A' ' 27' ' ' ARG . 8.0 p -131.93 153.31 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 8' ' ' VAL . 61.1 t0 -98.41 97.91 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -40.0 -52.91 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -45.75 -45.76 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.423 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -73.82 -37.2 64.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.735 HD21 ' HD2' ' A' ' 23' ' ' LYS . 4.6 tp -60.53 -60.75 3.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -46.97 -56.3 6.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -41.24 -37.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.8 mt -79.79 -60.61 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.9 p -37.77 -35.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -53.83 -46.69 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.0 mtt -56.66 -23.95 45.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.99 57.82 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 37.3 m-85 -127.49 140.3 52.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -61.59 130.83 47.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.735 ' HD2' HD21 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -46.07 -36.48 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.65 -42.12 64.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HB1' ' CD2' ' A' ' 44' ' ' LEU . . . -62.79 -49.75 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 m -69.93 -53.77 16.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG3' HG11 ' A' ' 8' ' ' VAL . 39.9 ttm180 -49.7 -63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -50.68 -46.88 58.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.15 -67.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.427 ' CB ' HG23 ' A' ' 8' ' ' VAL . 10.2 mt -41.83 -50.68 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.7 mtp -52.61 -36.01 55.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -87.71 -17.21 32.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' N ' HD22 ' A' ' 33' ' ' ASN . 1.8 m-80 -106.5 30.89 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.76 50.09 26.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.429 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 m120 49.31 44.3 23.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.639 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 18.7 m-20 -89.77 105.75 18.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 12' ' ' ALA . 49.2 tp -50.57 -50.86 52.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -71.67 -68.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.639 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.69 -44.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.91 -67.36 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.51 HD23 ' CE2' ' A' ' 21' ' ' PHE . 9.3 mt -48.78 -57.54 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' HG22 ' A' ' 46' ' ' THR . 9.7 m120 -34.52 -57.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.01 -39.95 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.511 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 11.8 mt -72.05 -24.39 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 mt -86.1 -68.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 42' ' ' ASN . 8.4 t -36.62 -36.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -125.37 77.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -109.19 -43.36 4.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -127.7 168.04 15.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -40.96 112.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 18.3 ttmt -76.6 143.31 71.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 54.3 Cg_endo -69.73 154.96 67.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.26 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.37 117.79 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 55' ' ' GLY . 76.5 mmm -118.08 85.72 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 54' ' ' MET . . . 34.07 -96.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 54' ' ' MET . 54.2 Cg_endo -69.71 148.67 65.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.258 . . . . 0.0 112.383 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 168.25 22.09 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.695 2.264 . . . . 0.0 112.286 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 t -104.68 140.75 37.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 43.56 81.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.6 3.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.392 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' SER . 61.3 p -164.46 154.94 14.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' SER . 23.8 p 36.38 41.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -93.31 136.62 33.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -63.34 -46.38 86.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.54 86.71 1.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -145.82 164.86 30.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -73.25 101.5 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.61 51.96 0.73 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.487 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.6 p -129.52 145.98 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 111.166 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -92.38 95.64 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -41.23 -51.27 3.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -46.77 -44.52 19.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.91 -42.0 58.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tp -50.56 -57.71 7.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' HIS . 13.7 ttpt -47.03 -60.17 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' LYS . 55.0 t-80 -35.56 -39.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mt -78.42 -59.06 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 p -39.69 -40.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -50.78 -43.43 58.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.659 ' SD ' HD21 ' A' ' 41' ' ' LEU . 9.1 mtt -59.15 -25.35 63.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.48 41.57 0.79 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -112.52 144.24 42.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -61.45 125.69 24.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -48.38 -38.62 19.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -65.95 -45.17 82.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.96 -49.07 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -63.99 -40.66 96.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.487 ' HG3' HG11 ' A' ' 8' ' ' VAL . 37.7 ttm180 -59.45 -57.29 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -55.5 -59.23 5.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.14 -63.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 35' ' ' ASN . 9.6 mt -42.96 -49.67 5.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.4 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 21.6 mtp -60.38 -38.2 83.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.91 -38.2 76.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 3.1 m-80 -95.61 27.22 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.78 67.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.7 m-80 39.43 41.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.701 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 13.6 m-20 -87.34 99.0 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HA ' HD21 ' A' ' 30' ' ' LEU . 38.7 tp -47.67 -50.79 23.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.76 -67.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.701 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.88 -37.96 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.22 -65.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.659 HD21 ' SD ' ' A' ' 19' ' ' MET . 6.3 mt -49.46 -53.75 21.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -37.94 -58.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.7 t -59.16 -53.64 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 41' ' ' LEU . 16.1 mt -49.9 -34.73 21.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 46' ' ' THR . 32.7 mt -79.44 -64.01 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' LEU . 33.0 p -35.5 -40.31 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.2 m -79.1 -49.92 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -45.81 155.77 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.38 93.59 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -90.6 168.08 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -94.87 144.01 27.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.87 18.31 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.292 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.5 t -106.56 130.5 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.2 tpp -52.55 129.74 29.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 145.23 146.26 4.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 163.87 36.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.87 10.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 t -93.84 140.06 30.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.35 -158.92 25.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.523 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -12.14 32.4 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.394 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m -106.56 107.04 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -114.47 172.25 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -163.64 175.08 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -117.82 40.66 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.02 -50.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 p -63.45 153.57 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -92.4 166.79 12.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.31 44.13 1.27 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 9' ' ' ASP . 5.7 p -130.76 152.89 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.364 . . . . 0.0 111.151 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 8' ' ' VAL . 62.8 t0 -99.24 98.08 9.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -38.79 -55.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -42.92 -45.04 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.86 57.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.429 HD12 ' OG ' ' A' ' 26' ' ' SER . 6.9 tp -58.78 -54.96 41.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' HIS . 5.7 tptm -57.2 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' LYS . 62.9 t60 -34.4 -41.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.2 mt -72.64 -48.77 44.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.877 HG21 ' HE3' ' A' ' 23' ' ' LYS . 77.1 p -53.65 -24.75 15.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.87 -20.55 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.757 ' CE ' HD11 ' A' ' 41' ' ' LEU . 39.8 mtm -96.46 19.1 12.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.56 66.46 2.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' SER . 26.1 m-85 -132.04 119.38 20.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 4.1 m -37.52 122.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.877 ' HE3' HG21 ' A' ' 17' ' ' THR . 0.5 OUTLIER -39.82 -43.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.74 -44.16 57.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 22' ' ' SER . . . -46.99 -52.44 14.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.429 ' OG ' HD12 ' A' ' 13' ' ' LEU . 12.4 t -66.38 -58.79 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 26.8 ttt180 -38.3 -65.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -47.12 -64.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -39.88 -59.89 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -45.03 -52.23 9.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.2 mtp -57.05 -38.13 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.45 -45.69 75.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.629 HD21 HG21 ' A' ' 43' ' ' VAL . 4.8 m-80 -79.8 -13.98 59.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.07 58.29 1.6 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 m120 58.05 26.85 14.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.691 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 3.2 t-20 -75.11 110.86 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.29 -49.97 67.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -73.2 -67.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.602 ' HB3' ' CG ' ' A' ' 36' ' ' ASN . . . -40.37 -39.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -42.12 -67.99 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.757 HD11 ' CE ' ' A' ' 19' ' ' MET . 6.8 mt -48.54 -55.56 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.0 m120 -36.88 -52.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.629 HG21 HD21 ' A' ' 33' ' ' ASN . 88.4 t -64.08 -49.57 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 25' ' ' ALA . 7.8 mt -62.39 -20.53 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.48 -65.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 t -39.51 -30.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.2 m -132.93 78.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.12 154.44 34.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -88.11 113.85 24.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -43.82 127.2 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -107.86 146.73 34.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 140.19 42.06 Favored 'Trans proline' 0 N--CA 1.466 -0.134 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -92.11 146.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.1 ptp -119.05 84.74 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.97 -159.55 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 163.0 39.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -21.54 33.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.743 2.295 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.6 t 62.52 46.2 5.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.82 146.49 28.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 126.06 12.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -116.38 -32.6 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.7 t -56.08 -45.3 79.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' GLY . 28.5 t -35.72 147.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -89.74 52.07 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.07 -173.09 12.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 m -79.91 88.51 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.825 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -165.64 153.46 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.78 42.16 1.81 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG23 ' CB ' ' A' ' 30' ' ' LEU . 12.0 p -131.21 142.3 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 12' ' ' ALA . 26.4 t70 -96.05 94.8 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ASP . 17.6 mt-10 -34.45 -54.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -46.37 -44.86 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -73.56 -31.25 63.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.615 HD12 ' HB2' ' A' ' 26' ' ' SER . 8.2 tp -65.84 -62.66 1.38 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.85 -55.5 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -42.19 -36.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.0 mt -79.04 -47.07 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -55.07 -25.58 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.88 -13.9 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.0 mtm -103.5 23.04 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.16 57.87 5.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -129.41 118.79 22.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -37.97 132.77 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -54.45 -14.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.38 -43.82 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.18 -46.32 62.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.615 ' HB2' HD12 ' A' ' 13' ' ' LEU . 7.4 m -75.37 -50.02 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -45.34 -59.98 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -52.15 -58.8 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.92 -58.04 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' CB ' HG23 ' A' ' 8' ' ' VAL . 10.8 mt -45.7 -49.37 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 28.5 mtp -58.91 -31.31 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -77.78 -43.84 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.48 HD21 HG21 ' A' ' 43' ' ' VAL . 11.1 m-80 -79.4 -13.7 59.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.55 61.51 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 51.19 30.36 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.706 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 16.3 m-20 -79.36 107.02 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 12' ' ' ALA . 48.3 tp -55.32 -59.82 4.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -69.2 -67.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.706 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.7 -38.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -48.37 -65.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 44' ' ' LEU . 8.0 mt -49.37 -53.94 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.3 m120 -36.77 -54.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.48 HG21 HD21 ' A' ' 33' ' ' ASN . 71.4 t -60.53 -35.16 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.2 mt -76.8 -23.9 52.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.47 -62.23 1.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 t -38.02 -32.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -85.42 -60.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.94 -59.54 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.69 132.03 54.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -74.18 107.57 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -118.02 148.83 44.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.519 0.676 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 111.0 2.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.51 ' O ' HG23 ' A' ' 53' ' ' VAL . 35.0 m -90.18 119.99 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.2 ptm -110.95 82.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.18 145.8 5.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 147.52 63.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.297 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 98.27 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -158.08 139.6 13.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.85 69.76 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -42.63 3.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.6 t -135.6 109.22 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.779 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.0 m -104.98 107.7 18.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 m -110.17 168.01 9.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -101.33 42.19 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.5 150.35 21.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p -90.62 169.96 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -59.95 -52.75 64.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.83 -30.49 2.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.707 HG11 ' HG3' ' A' ' 27' ' ' ARG . 3.1 p -100.06 152.85 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 8' ' ' VAL . 24.7 t0 -90.29 96.46 10.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -42.84 -50.43 5.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -46.56 -45.8 18.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.39 -39.76 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.546 HD21 ' HD2' ' A' ' 23' ' ' LYS . 3.3 tp -58.58 -61.56 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -46.37 -49.22 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -47.14 -39.63 13.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' THR . 51.5 mt -77.3 -60.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ILE . 73.4 p -35.56 -35.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.5 mm-40 -51.45 -49.37 61.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.4 mtt -57.74 -29.46 64.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.22 65.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.546 ' CE2' HD23 ' A' ' 41' ' ' LEU . 40.4 m-85 -129.57 148.42 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.9 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -64.19 125.01 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HD2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -45.26 -45.98 12.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.41 -39.15 88.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.66 -57.19 10.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.41 ' HB2' HD12 ' A' ' 13' ' ' LEU . 13.1 m -64.13 -44.01 93.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.707 ' HG3' HG11 ' A' ' 8' ' ' VAL . 30.2 ttm-85 -56.42 -54.25 47.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -62.19 -51.04 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.63 -58.51 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -46.84 -53.82 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.9 mtp -52.15 -23.9 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -87.83 -29.24 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -98.55 17.38 19.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' C ' ' OD1' ' A' ' 35' ' ' ASN . . . 62.77 37.83 95.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER 72.97 38.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.523 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 30.6 t-20 -85.76 112.99 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.21 -48.74 74.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -69.09 -68.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -39.77 -43.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -38.56 -67.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.1 mt -48.95 -57.72 6.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 41' ' ' LEU . 9.7 m120 -35.01 -60.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.41 -52.69 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 41' ' ' LEU . 9.9 mt -52.84 -32.27 43.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' THR . 19.2 mt -79.54 -62.45 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LEU . 14.4 p -34.12 -43.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.7 m -63.24 -61.82 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -53.62 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -114.0 136.74 52.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -87.13 125.74 34.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -121.91 148.48 51.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 164.16 35.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.61 128.87 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -128.86 96.88 4.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.4 171.78 8.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 169.94 17.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.72 29.29 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.355 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -117.09 174.11 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.59 146.24 10.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.19 4.94 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.357 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.4 m -104.68 144.97 31.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -93.06 -57.31 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -121.2 42.68 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.831 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 64.31 41.53 5.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.46 82.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 t -107.5 127.73 53.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -158.26 160.7 37.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.2 45.92 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.594 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.1 p -135.39 139.19 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 111.072 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -90.63 100.47 13.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -44.98 -55.43 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 2.4 mmpt? -43.28 -48.04 6.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.31 -36.0 74.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 23' ' ' LYS . 3.9 tp -59.51 -53.03 62.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -54.96 -55.17 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -41.53 -43.4 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' THR . 30.6 mt -74.05 -61.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' ILE . 72.4 p -35.9 -39.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -45.34 -48.57 13.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.3 mtt -56.66 -31.68 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.6 51.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CE2' HD23 ' A' ' 41' ' ' LEU . 60.7 m-85 -123.47 128.13 49.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -51.84 121.37 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.731 ' HG2' HD21 ' A' ' 13' ' ' LEU . 26.5 tttt -43.26 -39.88 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 11.0 pt-20 -63.81 -42.75 97.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -66.18 -55.47 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.492 ' CB ' HD12 ' A' ' 13' ' ' LEU . 41.6 m -58.08 -46.42 85.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.594 ' HG3' HG11 ' A' ' 8' ' ' VAL . 9.4 ttt-85 -49.47 -63.41 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -52.71 -58.29 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.03 -63.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' HB2' HG23 ' A' ' 8' ' ' VAL . 13.6 mt -41.22 -52.67 3.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.418 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 6.8 mtt -48.68 -36.96 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.56 -37.88 65.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' CB ' ' HB2' ' A' ' 36' ' ' ASN . 5.4 m-80 -92.23 30.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.17 49.0 31.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 56.77 40.8 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.627 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 11.1 m-20 -85.84 107.73 17.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.5 tp -50.73 -53.1 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' ALA . 4.4 mt-10 -69.73 -67.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.627 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.76 -41.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.13 -66.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 HD23 ' CE2' ' A' ' 21' ' ' PHE . 8.7 mt -48.85 -55.94 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.1 m120 -34.83 -62.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.4 t -51.45 -55.54 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.7 mt -50.8 -38.86 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.8 mt -70.9 -59.68 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 p -40.0 -42.09 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.5 p -96.89 45.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -165.43 112.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 47.21 41.06 11.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.18 123.41 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 11.5 ttpt -89.43 142.9 30.0 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.608 0.718 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.79 123.02 9.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.622 2.214 . . . . 0.0 112.356 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.1 m -66.49 152.57 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.3 ttt -162.73 133.42 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.41 146.32 4.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 168.0 22.86 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.41 50.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 p -46.91 119.45 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.8 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -41.66 150.03 0.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 133.2 24.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.7 p -57.83 151.57 17.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.5 m -92.35 157.74 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -86.56 85.65 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 m -99.36 42.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.14 -61.02 0.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.545 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -47.41 161.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -127.82 -43.43 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.93 -38.36 3.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.65 HG11 ' HG3' ' A' ' 27' ' ' ARG . 6.2 p -94.95 154.3 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.179 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 8' ' ' VAL . 12.1 t70 -90.46 99.93 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -46.85 -53.84 11.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -45.9 -44.69 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.77 -32.97 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.729 HD21 ' HD2' ' A' ' 23' ' ' LYS . 3.4 tp -61.76 -62.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -48.0 -51.33 24.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -43.66 -38.02 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.5 mt -77.17 -43.32 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -56.21 -27.33 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -58.97 -20.34 51.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.678 ' CE ' HD11 ' A' ' 41' ' ' LEU . 36.2 mtm -97.67 15.97 21.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.85 67.44 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' SER . 25.2 m-85 -135.01 110.15 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' PHE . 24.8 m -35.41 129.46 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.729 ' HD2' HD21 ' A' ' 13' ' ' LEU . 5.6 tppt? -45.82 -43.36 13.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -67.0 -41.81 86.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.78 80.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 m -67.84 -54.31 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.65 ' HG3' HG11 ' A' ' 8' ' ' VAL . 75.0 ttt180 -48.25 -57.56 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -46.78 -54.89 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ASP . . . -51.29 -66.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 13' ' ' LEU . 13.7 mt -42.69 -39.65 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.4 mmm -69.05 -33.14 73.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' ALA . 1.2 m-20 -78.78 -56.24 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.513 HD21 HG21 ' A' ' 43' ' ' VAL . 8.3 m-80 -68.02 -27.66 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' ASN . . . 98.72 83.44 1.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' GLY . 3.1 m120 37.74 30.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.911 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 6.1 m120 -80.08 97.87 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.4 tp -54.01 -56.2 20.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' ALA . 4.2 mt-10 -71.12 -67.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.98 -44.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -39.86 -68.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.759 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.7 mt -47.98 -57.93 5.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.492 ' O ' HG23 ' A' ' 46' ' ' THR . 10.0 m120 -34.48 -52.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.513 HG21 HD21 ' A' ' 33' ' ' ASN . 74.4 t -65.27 -40.72 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.9 mt -63.93 -31.51 72.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' THR . 25.4 mt -81.44 -52.56 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 42' ' ' ASN . 21.7 p -38.07 -41.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 p -134.13 82.27 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 48' ' ' ASN . 7.5 t-20 -116.98 112.86 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -99.04 129.08 45.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -58.85 150.89 22.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -116.2 144.36 32.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.523 0.678 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -176.12 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -81.28 135.18 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' GLY . 3.4 ttt -105.02 102.14 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' MET . . . -36.22 146.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 165.92 29.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.323 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -178.56 2.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.372 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.5 t -44.7 -47.4 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.65 83.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.71 3.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.618 2.212 . . . . 0.0 112.357 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.4 m -130.48 131.67 45.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -79.89 -48.17 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 p -73.82 90.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -112.18 88.15 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.53 -121.97 5.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -121.16 114.13 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.822 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -86.15 -68.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.9 32.52 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.408 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 2.7 p -123.07 142.9 37.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -79.72 95.84 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -43.5 -51.99 6.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -44.55 -46.12 9.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 -36.62 71.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.768 HD21 ' HD2' ' A' ' 23' ' ' LYS . 6.2 tp -62.15 -56.51 18.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -51.82 -60.23 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -39.83 -34.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' MET . 77.5 mt -82.41 -60.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.5 p -39.21 -43.56 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.46 -42.5 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.752 ' SD ' HD11 ' A' ' 41' ' ' LEU . 5.9 mtt -56.57 -26.02 54.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.59 44.08 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 42.7 m-85 -119.99 138.4 53.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 23' ' ' LYS . 5.0 m -60.14 123.75 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.768 ' HD2' HD21 ' A' ' 13' ' ' LEU . 18.6 tptp -37.26 -55.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -57.99 -47.58 82.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.64 -52.76 62.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.487 ' HB3' HD12 ' A' ' 13' ' ' LEU . 8.5 t -62.19 -48.49 79.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -48.52 -58.62 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -50.46 -59.37 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.43 ' C ' ' OD1' ' A' ' 33' ' ' ASN . . . -42.96 -61.76 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 13' ' ' LEU . 14.3 mt -45.57 -50.66 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.1 mmm -57.85 -25.59 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -92.43 -23.51 19.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.515 ' ND2' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -97.94 30.87 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.26 25.62 12.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 8' ' ' VAL . 3.4 m120 71.32 48.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.882 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 3.8 t-20 -98.16 116.45 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 48.6 tp -56.08 -50.95 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 4.8 mt-10 -73.18 -68.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.882 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -37.86 -43.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -40.3 -67.99 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.752 HD11 ' SD ' ' A' ' 19' ' ' MET . 6.7 mt -48.25 -57.62 5.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.514 ' O ' HG22 ' A' ' 46' ' ' THR . 10.0 m120 -34.66 -56.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.515 HG21 ' ND2' ' A' ' 33' ' ' ASN . 79.7 t -58.8 -44.69 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 41' ' ' LEU . 17.2 mt -62.04 -31.72 72.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' ASN . 18.2 mt -83.24 -68.01 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 42' ' ' ASN . 11.2 t -37.75 -37.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -96.93 43.89 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.4 p-10 -131.82 177.58 7.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -82.49 146.07 29.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.47 125.0 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -113.68 144.13 30.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.55 0.69 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 109.35 2.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.8 p -113.77 147.17 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.2 ttm -133.47 56.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -144.85 146.73 17.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 148.41 64.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 128.89 16.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.0 m -111.87 168.82 9.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -97.62 170.56 25.56 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -178.18 2.25 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.298 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.5 m -124.41 95.71 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.7 m -117.77 -58.87 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p -118.38 42.01 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -45.97 120.83 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.15 47.0 1.06 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.8 t -132.01 133.32 44.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' SER . 88.5 p 36.38 50.51 0.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.16 53.93 3.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.474 HG11 ' HG3' ' A' ' 27' ' ' ARG . 6.3 p -133.8 146.57 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -94.02 95.94 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.96 -52.32 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -45.04 -44.69 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.14 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.41 -61.77 2.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -46.12 -60.2 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -39.11 -36.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' THR . 38.7 mt -79.82 -62.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' ILE . 66.7 p -36.36 -35.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -54.46 -48.76 71.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.6 mtt -56.6 -18.99 13.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.04 57.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -129.65 130.56 45.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 t -47.52 119.02 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -39.75 -42.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -65.39 -46.23 80.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.03 85.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -68.08 -49.74 59.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.474 ' HG3' HG11 ' A' ' 8' ' ' VAL . 41.2 ttt180 -47.2 -62.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' ALA . 2.4 tp-100 -51.62 -63.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . -35.78 -55.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' ASN . 10.6 mt -50.44 -49.92 53.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.0 mtt -59.29 -39.2 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.89 -37.55 76.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 61.0 m-80 -94.04 23.9 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.03 65.24 3.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.3 m-80 42.95 40.33 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.789 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 16.7 m-20 -84.14 109.18 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.5 tp -54.89 -53.47 54.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' ALA . 2.9 mt-10 -73.14 -67.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.789 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.45 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -55.06 -56.22 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.2 mt -64.06 -54.69 30.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -39.8 -52.15 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.42 -41.28 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 41' ' ' LEU . 14.8 mt -64.56 -34.03 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.97 -47.07 26.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.2 p -47.2 -44.85 22.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 t -120.07 80.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.47 176.42 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -110.66 29.98 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -139.01 177.7 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 39.4 ttmt -66.92 139.46 95.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.2 Cg_endo -69.82 148.09 63.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.9 p -120.23 135.56 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.06 132.58 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.28 171.84 28.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.47 69.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 136.19 32.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 m -83.3 130.26 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.94 149.33 17.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 95.9 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.2 m -157.66 141.95 16.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.4 t -152.75 121.6 6.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m -90.47 -43.24 10.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.376 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -93.23 145.99 24.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.17 85.77 0.13 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -59.59 117.46 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -149.37 138.6 21.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.39 37.07 3.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.757 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.1 p -133.31 137.37 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 111.108 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -85.77 100.79 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -41.85 -52.34 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -43.98 -45.48 7.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.07 -35.65 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 26' ' ' SER . 3.3 tp -62.21 -56.64 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -54.46 -47.55 72.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.462 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 55.8 t-80 -51.91 -34.65 42.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.3 mt -79.42 -55.16 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p -42.92 -40.15 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.01 -44.2 60.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.792 ' SD ' HD11 ' A' ' 41' ' ' LEU . 6.0 mtt -58.39 -26.69 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.42 59.31 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.56 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 35.9 m-85 -127.98 163.69 23.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -80.92 124.32 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -37.91 -47.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 17.9 pt-20 -65.3 -48.27 73.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -55.67 -48.06 75.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.506 ' HB2' HD12 ' A' ' 13' ' ' LEU . 14.4 m -67.02 -51.67 51.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.757 ' HG3' HG11 ' A' ' 8' ' ' VAL . 65.9 ttt180 -52.81 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -50.61 -49.11 57.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.66 -63.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -45.5 -50.13 13.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.42 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 22.4 mtp -55.82 -31.21 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -81.6 -24.22 36.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.742 HD21 HG21 ' A' ' 43' ' ' VAL . 10.1 m-80 -106.33 28.49 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.56 52.29 46.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 50.25 42.33 25.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.679 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 47.6 m-20 -88.43 109.27 19.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 tp -50.78 -56.44 12.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' ALA . 4.6 mt-10 -69.07 -67.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.679 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.73 -43.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -41.71 -65.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.792 HD11 ' SD ' ' A' ' 19' ' ' MET . 11.0 mt -50.5 -57.36 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 41' ' ' LEU . 9.4 m120 -34.63 -50.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.742 HG21 HD21 ' A' ' 33' ' ' ASN . 96.6 t -64.73 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 41' ' ' LEU . 8.3 mt -66.92 -29.44 69.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.87 -60.78 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -41.73 -36.02 0.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -104.76 61.82 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -146.75 146.01 30.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -39.94 115.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -157.56 161.85 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 18.5 tttt -66.5 140.68 96.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.525 0.678 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.76 113.52 3.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.333 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.534 HG13 ' HD2' ' A' ' 56' ' ' PRO . 9.4 p -81.81 141.34 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 64.8 mmm -64.99 93.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.74 -95.67 0.11 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.443 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.534 ' HD2' HG13 ' A' ' 53' ' ' VAL . 53.8 Cg_endo -69.71 148.59 65.7 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.734 2.289 . . . . 0.0 112.309 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -34.66 14.21 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.304 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.0 t -170.49 177.6 3.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.73 59.31 0.69 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 174.65 9.21 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.737 2.291 . . . . 0.0 112.326 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.6 m -139.07 137.27 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.0 p -85.15 42.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 p -147.86 153.94 39.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -135.66 176.78 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.91 130.9 5.51 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -145.69 130.75 18.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -112.7 119.42 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.47 58.15 0.55 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.553 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.4 p -135.35 149.17 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -95.15 96.33 9.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.09 -55.61 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 2.2 mppt? -46.45 -44.46 17.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.54 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.408 ' HA ' HD11 ' A' ' 30' ' ' LEU . 3.8 tp -60.23 -56.14 25.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.8 -58.46 3.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -39.31 -41.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.4 mt -74.03 -62.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -40.42 -40.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -49.76 -43.84 48.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 36.5 mtt -57.04 -30.74 64.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.94 47.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 47.4 m-85 -118.33 140.32 50.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.4 m -55.9 120.3 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -39.39 -46.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.5 -44.69 90.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.1 -48.09 81.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -68.8 -59.92 2.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.553 ' HG3' HG11 ' A' ' 8' ' ' VAL . 42.0 ttm180 -40.19 -59.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -54.82 -46.08 74.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.03 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' A' ' 13' ' ' LEU . 9.9 mt -41.94 -52.08 4.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 35.9 mtp -49.72 -43.37 47.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -68.54 -37.96 80.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' HG21 ' A' ' 43' ' ' VAL . 20.2 m-80 -91.82 30.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.2 54.46 12.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 52.0 47.78 24.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.819 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 19.3 m-20 -90.84 103.23 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.1 tp -45.78 -57.22 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 39' ' ' ALA . 7.1 mt-10 -72.2 -67.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.819 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.88 -38.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -46.35 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.806 ' HA ' HD12 ' A' ' 44' ' ' LEU . 6.4 mt -49.05 -57.03 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.9 m120 -34.5 -57.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.439 HG21 ' OD1' ' A' ' 33' ' ' ASN . 95.5 t -53.71 -42.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' A' ' 41' ' ' LEU . 8.0 mt -67.79 -35.81 79.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.83 -60.03 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 t -50.96 -39.42 55.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.5 m -131.89 83.69 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.2 p-10 -99.23 153.67 18.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -154.05 127.99 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -66.86 125.07 24.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -115.29 148.72 41.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 116.31 4.5 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -76.37 121.42 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.0 mtt -147.56 131.43 17.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.11 146.24 14.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 148.67 65.18 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.58 35.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.3 m -97.76 -50.61 4.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.05 146.21 4.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.439 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 161.95 43.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -89.83 112.16 23.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.2 m -117.78 169.06 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -54.25 158.84 2.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -61.05 137.28 58.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.06 -175.23 0.22 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -160.23 120.28 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m -74.01 -38.37 64.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' ND2' ' A' ' 35' ' ' ASN . . . 128.24 -23.21 5.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.619 HG11 ' HG3' ' A' ' 27' ' ' ARG . 5.8 p -103.64 136.77 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.351 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -79.75 95.81 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -41.27 -47.51 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -48.58 -44.19 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.98 -32.31 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.52 -58.17 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -44.83 -55.88 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -44.64 -41.6 6.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' THR . 75.7 mt -73.98 -61.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ILE . 41.2 p -36.91 -34.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -53.86 -47.79 70.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.8 mtt -56.42 -28.29 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.11 49.47 0.45 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -118.06 126.14 51.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.7 m -43.98 122.29 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -41.51 -33.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -72.3 -48.61 40.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.78 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -67.17 -60.78 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.619 ' HG3' HG11 ' A' ' 8' ' ' VAL . 11.8 ttt85 -38.85 -56.84 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -57.21 -61.75 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.44 -57.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -47.3 -52.3 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.3 mtp -57.7 -27.38 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.88 -43.33 20.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.549 HD21 HG21 ' A' ' 43' ' ' VAL . 51.1 m-80 -80.63 -7.37 59.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.83 56.16 2.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 7' ' ' GLY . 3.0 m120 56.08 33.16 21.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.821 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 3.2 t-20 -88.28 108.18 19.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -56.89 -50.75 71.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -67.97 -68.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.821 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -38.69 -41.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.83 -62.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.615 ' HA ' HD12 ' A' ' 44' ' ' LEU . 9.9 mt -53.45 -58.14 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 41' ' ' LEU . 9.0 m120 -34.38 -54.12 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 33' ' ' ASN . 69.3 t -60.89 -49.55 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 41' ' ' LEU . 17.4 mt -56.14 -35.16 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' THR . 13.2 mt -77.19 -60.68 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LEU . 19.1 p -34.24 -40.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 m -80.38 -57.09 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -75.67 101.64 5.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 150.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -149.39 146.15 27.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.464 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 4.3 ttpm? -76.34 139.67 68.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.546 0.689 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.9 Cg_endo -69.74 130.07 18.73 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.311 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -83.86 141.75 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 mtt -141.7 146.64 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.77 168.81 14.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 149.14 66.36 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.629 2.219 . . . . 0.0 112.342 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -179.64 3.06 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.646 2.231 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.4 p -131.43 36.13 3.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.86 60.01 9.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.556 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.09 25.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.393 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 m -55.15 125.85 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.2 t -57.6 109.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -71.08 -50.05 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 110.805 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 t -68.89 127.25 32.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -111.14 -148.87 11.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 24.2 t -36.5 119.4 0.62 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.5 p -138.47 119.15 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.82 68.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.593 HG11 ' HG3' ' A' ' 27' ' ' ARG . 14.8 p -128.33 146.61 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . 17.3 t70 -94.22 94.1 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' ASP . 23.5 mm-40 -36.58 -53.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -48.57 -41.46 30.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -78.67 -27.5 45.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tp -70.91 -60.43 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.02 -48.72 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -53.77 -42.56 68.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.545 HD12 HD11 ' A' ' 30' ' ' LEU . 94.1 mt -67.5 -49.93 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.3 p -51.24 -30.04 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -54.85 -26.71 37.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.0 mtt -90.78 20.76 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.58 68.49 1.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.541 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 14.6 m-85 -135.28 109.3 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' PHE . 2.0 m -34.57 127.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -45.73 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 7.0 pt-20 -63.4 -38.47 91.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.453 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -65.45 -51.84 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.7 t -65.89 -52.92 45.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.593 ' HG3' HG11 ' A' ' 8' ' ' VAL . 38.3 ttm180 -42.74 -67.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 29' ' ' ALA . 26.7 tp60 -44.57 -65.27 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . -35.52 -65.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.545 HD11 HD12 ' A' ' 16' ' ' ILE . 8.4 mt -43.47 -47.59 7.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 33.2 mtp -61.52 -38.69 88.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.53 -34.3 69.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.518 HD21 HG21 ' A' ' 43' ' ' VAL . 2.3 m-80 -97.91 28.25 4.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.01 70.95 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 39.44 52.84 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.96 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 24.4 m-20 -96.4 104.27 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.7 tp -52.55 -62.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' ALA . 1.4 mp0 -68.04 -68.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.96 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.61 -40.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -45.56 -66.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.724 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.2 mt -48.87 -54.86 13.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.1 m120 -36.34 -57.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.518 HG21 HD21 ' A' ' 33' ' ' ASN . 84.3 t -55.83 -40.2 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 41' ' ' LEU . 11.1 mt -67.89 -34.46 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.3 mt -76.13 -64.32 1.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 47' ' ' SER . 13.9 t -39.38 -42.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.453 ' N ' HG23 ' A' ' 46' ' ' THR . 5.6 t -69.68 -62.94 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -47.16 -57.38 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -55.39 151.1 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -45.72 151.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' CD ' ' HD2' ' A' ' 52' ' ' PRO . 11.2 tptm -78.25 139.07 60.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' HD2' ' CD ' ' A' ' 51' ' ' LYS . 53.5 Cg_endo -69.79 -174.8 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.4 m -111.89 139.5 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.2 mtm -52.56 124.76 14.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.09 -95.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 157.28 60.88 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 155.17 66.78 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.1 t -161.79 142.81 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.77 146.99 18.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.451 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -37.7 8.74 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.6 m -38.28 106.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.6 t -51.77 141.36 17.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t 56.55 43.03 26.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m 48.7 39.46 13.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.801 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.03 -154.49 7.71 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p 43.04 38.01 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -107.78 102.94 12.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.31 58.88 0.39 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.497 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.5 p -132.96 152.06 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.126 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLU . 23.7 t0 -100.59 95.84 6.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' LEU . 1.8 mp0 -34.99 -56.21 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -41.79 -44.86 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -75.56 -28.69 59.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' GLU . 7.4 tp -69.97 -61.49 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -43.57 -57.92 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -39.88 -42.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.2 mt -74.42 -57.38 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -41.72 -34.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -59.01 -43.53 91.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.634 ' SD ' HD11 ' A' ' 41' ' ' LEU . 3.0 mtt -59.88 -23.83 63.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.41 53.1 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.535 ' CE2' HD23 ' A' ' 41' ' ' LEU . 25.1 m-85 -126.21 132.69 51.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -45.74 128.79 8.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -51.88 -16.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -97.65 -43.28 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.58 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -74.48 -48.23 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.497 ' HG3' HG11 ' A' ' 8' ' ' VAL . 48.5 ttp85 -49.72 -57.95 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -56.94 -47.27 81.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.47 -61.41 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -43.22 -52.57 5.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.7 mtp -51.49 -31.63 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -80.8 -28.24 36.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -95.44 7.63 45.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.78 38.19 66.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 m120 71.62 32.8 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.769 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 6.0 t-20 -81.66 117.84 22.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.03 -52.15 63.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -70.41 -67.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.769 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -38.18 -38.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -45.61 -64.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.715 ' HA ' HD12 ' A' ' 44' ' ' LEU . 10.1 mt -52.15 -59.1 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.479 ' O ' HG22 ' A' ' 46' ' ' THR . 8.8 m120 -35.3 -59.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.39 -36.94 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.0 mt -72.98 -36.59 67.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.37 -63.61 1.29 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 42' ' ' ASN . 12.9 t -40.68 -42.85 1.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.466 ' N ' HG23 ' A' ' 46' ' ' THR . 78.1 p -72.33 -45.7 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -104.36 86.75 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -48.65 132.96 17.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.437 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 4.7 pp0? -122.78 132.16 54.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.477 ' CD ' ' HD2' ' A' ' 52' ' ' PRO . 3.7 tppp? -85.36 139.15 36.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.477 ' HD2' ' CD ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.82 179.13 3.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 53' ' ' VAL . 27.3 m -78.47 120.42 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.5 ttm -56.64 127.9 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.46 -95.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.62 67.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -178.31 2.3 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -156.83 123.59 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.21 -63.9 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.6 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.2 t -80.91 86.37 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.0 t -154.26 168.23 27.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -120.9 160.69 22.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.865 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t 67.0 42.44 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.47 -113.02 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -54.09 153.38 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -116.57 155.49 28.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.8 31.13 7.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.662 HG11 ' HG2' ' A' ' 27' ' ' ARG . 7.1 p -124.55 149.84 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.361 . . . . 0.0 111.181 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -94.97 93.87 7.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -41.43 -43.18 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -52.57 -42.71 64.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.94 -39.15 24.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.771 HD21 ' HD2' ' A' ' 23' ' ' LYS . 7.6 tp -57.44 -50.2 73.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 tttt -53.19 -49.46 66.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -49.11 -44.09 41.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 17' ' ' THR . 54.6 mt -70.1 -60.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 16' ' ' ILE . 34.3 p -35.48 -37.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -52.19 -48.68 64.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.5 mtt -56.74 -24.31 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.74 65.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 36.2 m-85 -134.33 133.76 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' ALA . 1.1 t -52.07 121.66 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.771 ' HD2' HD21 ' A' ' 13' ' ' LEU . 10.9 tppt? -34.32 -39.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 12.6 pt-20 -71.5 -47.29 56.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' SER . . . -54.58 -50.93 66.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -69.67 -59.49 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.662 ' HG2' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -47.05 -66.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -43.29 -55.0 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.45 -54.18 15.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 35' ' ' ASN . 7.4 mt -50.04 -52.08 37.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.456 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 15.1 mtm -56.92 -33.88 67.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -41.23 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -86.4 -0.23 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.11 60.34 2.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.8 m120 47.64 30.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.877 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 3.2 t-20 -82.02 102.62 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 tp -50.85 -52.85 37.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -65.23 -68.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.877 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -38.98 -43.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.33 -66.51 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.62 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.7 mt -49.85 -57.94 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 41' ' ' LEU . 9.7 m120 -34.05 -49.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.33 -43.98 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.0 mt -62.14 -38.15 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 mt -75.26 -57.02 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 p -44.66 -49.64 10.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 t -57.68 -56.2 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -62.18 157.98 18.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -90.08 27.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -65.01 164.06 13.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 37.7 tttt -62.55 142.27 96.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 54.1 Cg_endo -69.77 148.14 64.35 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.6 p -121.96 140.36 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.4 tpp -101.46 130.64 47.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.55 146.25 17.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.57 66.94 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 120.29 7.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.0 p -105.64 168.72 8.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.35 -158.64 16.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 103.58 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 m -70.46 -47.61 59.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -125.27 174.63 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 63.25 42.03 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.355 . . . . 0.0 110.872 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -63.93 126.98 29.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.46 174.25 29.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -48.42 -49.69 34.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -113.11 173.23 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.67 24.04 8.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.8 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.7 p -120.99 150.55 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.131 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -91.4 94.89 9.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -37.97 -50.5 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -47.56 -44.65 26.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.54 55.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.584 HD12 ' HB2' ' A' ' 26' ' ' SER . 8.1 tp -62.18 -59.85 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -42.85 -57.33 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -40.23 -38.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLU . 43.9 mt -77.21 -60.87 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 p -39.71 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.3 mm-40 -64.78 -45.7 85.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.699 ' CE ' HD11 ' A' ' 41' ' ' LEU . 25.6 mtm -63.99 -19.8 65.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.48 72.09 0.71 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' SER . 34.2 m-85 -141.51 118.44 11.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' PHE . 3.0 t -34.45 112.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -38.29 -34.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.5 -49.72 30.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -52.01 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.584 ' HB2' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -59.29 -60.71 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.8 ' HG3' HG11 ' A' ' 8' ' ' VAL . 46.9 ttt180 -36.24 -63.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -52.12 -54.04 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.08 -65.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 36' ' ' ASN . 6.5 mt -45.78 -51.86 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.434 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 15.9 mtm -55.45 -32.73 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.05 -36.12 64.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.629 HD21 HG21 ' A' ' 43' ' ' VAL . 2.5 m-80 -90.14 -6.85 54.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.16 52.92 2.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 60.75 27.78 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.688 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 58.7 m-20 -77.66 108.64 11.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.3 tp -57.13 -58.82 6.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -66.41 -67.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.688 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -37.05 -42.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -42.98 -63.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.699 HD11 ' CE ' ' A' ' 19' ' ' MET . 5.8 mt -52.96 -58.09 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.449 ' C ' ' O ' ' A' ' 41' ' ' LEU . 8.9 m120 -34.47 -51.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.629 HG21 HD21 ' A' ' 33' ' ' ASN . 97.3 t -60.58 -48.72 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 41' ' ' LEU . 6.0 mt -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' SER . 24.8 mt -84.53 -68.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' LEU . 14.5 t -36.87 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 45' ' ' LEU . 4.4 t -84.27 -47.13 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 m-20 -78.4 78.88 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.48 149.52 31.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -44.29 129.81 6.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -121.59 144.41 40.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.709 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.55 2.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' ' 53' ' ' VAL . 8.7 p -74.09 118.58 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.8 mmt -150.8 153.41 35.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.74 -158.58 2.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.99 67.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.16 19.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.9 p -64.48 -176.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.24 -158.82 48.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.87 67.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.288 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -158.41 152.8 24.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.3 p -95.16 113.32 24.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 t -65.11 148.77 51.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 m -90.2 -58.32 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.85 -176.15 28.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -47.15 -57.99 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 p -83.84 152.98 24.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' SD ' ' A' ' 31' ' ' MET . . . -101.92 51.65 0.9 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 p -129.02 142.96 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 111.148 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -84.86 96.08 9.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -40.74 -49.93 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -47.76 -45.0 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -76.98 -30.27 55.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 27' ' ' ARG . 8.7 tp -69.09 -63.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' HIS . 24.1 ttpt -49.54 -56.11 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' LYS . 28.0 t60 -37.09 -42.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' GLU . 80.4 mt -71.71 -58.01 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ILE . 25.5 p -35.39 -31.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' ILE . 14.9 mm-40 -54.24 -49.6 69.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.694 ' HE3' HD21 ' A' ' 41' ' ' LEU . 29.2 mtm -59.4 -20.2 53.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.9 61.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 40.5 m-85 -132.84 113.1 12.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' PHE . 63.8 m -37.31 126.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -46.62 -31.87 3.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -68.67 -52.79 27.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.88 86.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.074 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.444 ' HB2' HD12 ' A' ' 13' ' ' LEU . 3.2 p -69.03 -59.79 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' A' ' 13' ' ' LEU . 17.0 ttp180 -40.57 -57.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -53.22 -54.06 41.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.09 -67.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 36' ' ' ASN . 10.2 mt -44.92 -54.29 6.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 7' ' ' GLY . 30.9 mmm -49.31 -27.8 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -87.1 -29.88 21.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.458 ' OD1' ' HB1' ' A' ' 39' ' ' ALA . 2.6 m-80 -96.78 18.04 15.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' C ' ' OD1' ' A' ' 35' ' ' ASN . . . 59.66 40.59 96.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 34' ' ' GLY . 1.3 m120 72.6 45.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.612 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 17.8 t-20 -92.56 113.15 25.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 12' ' ' ALA . 55.2 tp -63.75 -49.46 72.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -70.72 -68.4 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -40.71 -37.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -44.5 -66.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.694 HD21 ' HE3' ' A' ' 19' ' ' MET . 7.2 mt -50.38 -56.53 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 46' ' ' THR . 10.3 m120 -33.54 -48.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -66.43 -50.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 7.5 mt -59.32 -25.77 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.72 -38.93 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 42' ' ' ASN . 55.5 p -67.71 -43.38 80.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.6 p -59.95 -55.21 36.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -52.33 -175.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -93.65 28.51 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.73 157.34 33.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -66.02 143.89 98.59 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 134.17 27.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.387 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 m -110.38 147.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.3 ptm -92.77 130.27 38.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.68 146.37 14.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 159.72 52.33 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 92.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.6 p -138.55 154.16 48.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.29 81.46 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.13 47.3 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.5 p -137.18 166.22 24.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 93.0 p -113.66 141.89 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -114.89 -54.5 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.381 . . . . 0.0 110.892 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -69.73 -58.65 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.86 165.95 22.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 p -122.12 85.85 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.806 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -90.03 -44.88 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.54 -39.15 1.78 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.821 HG11 ' HG3' ' A' ' 27' ' ' ARG . 4.7 p -97.92 146.28 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.38 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 10.3 t70 -83.5 100.89 11.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -46.8 -55.34 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -48.59 -43.41 35.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . . . -75.59 -25.56 57.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 26' ' ' SER . 6.1 tp -72.66 -66.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -44.66 -44.27 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -51.48 -36.69 45.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.2 mt -80.3 -57.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.7 p -40.41 -31.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.62 -45.46 73.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.3 mtt -58.66 -27.99 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.58 43.68 0.45 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.539 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 56.4 m-85 -111.54 143.6 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.876 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -61.8 130.24 44.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -53.01 -38.48 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -67.79 -38.29 83.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.16 -48.74 50.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.621 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.2 m -66.6 -47.04 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.821 ' HG3' HG11 ' A' ' 8' ' ' VAL . 20.1 ttm180 -50.51 -54.2 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -66.18 -55.42 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.0 -57.58 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' CB ' HG23 ' A' ' 8' ' ' VAL . 9.2 mt -47.95 -52.02 21.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.442 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 13.2 mtm -57.45 -35.32 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.58 -44.04 75.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -82.19 -12.97 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.81 58.98 1.65 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m120 54.61 37.38 27.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.734 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 3.1 m-20 -88.1 101.83 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 tp -50.63 -55.84 14.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 39' ' ' ALA . 5.6 mt-10 -71.21 -67.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.734 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.69 -39.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -46.9 -63.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.5 mt -52.61 -56.8 12.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 41' ' ' LEU . 9.5 m120 -34.39 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.3 t -46.69 -51.67 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.0 mt -60.49 -33.09 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.33 -59.76 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -55.31 -37.56 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.1 p -89.16 33.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -144.96 128.55 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.02 150.19 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.5 137.47 49.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 35.5 tttp -77.61 139.44 63.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 110.929 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.6 Cg_endo -69.75 148.03 64.2 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 m -107.16 106.43 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.3 ttm -80.66 43.68 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.14 -161.31 13.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.468 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.16 66.36 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.641 2.227 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 162.91 40.24 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.732 2.288 . . . . 0.0 112.339 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.0 p -75.39 109.54 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.6 83.39 1.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -19.76 35.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' SER . 23.3 p -95.35 142.64 27.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' SER . 11.3 t -36.77 132.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.589 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.2 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 8' ' ' VAL . 19.0 t0 -98.12 94.44 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' ASP . 22.5 mm-40 -35.82 -54.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -45.13 -45.12 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -73.43 -36.17 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.557 HD21 ' HE2' ' A' ' 23' ' ' LYS . 5.3 tp -60.79 -64.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -45.5 -60.31 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.477 ' CD2' HD11 ' A' ' 37' ' ' LEU . 86.2 t60 -40.23 -39.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.4 mt -77.68 -49.17 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 p -47.9 -35.46 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -49.41 -32.49 11.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 41' ' ' LEU . 47.5 mtm -88.39 26.1 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.38 73.33 0.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' SER . 35.2 m-85 -138.04 106.89 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' PHE . 73.1 p -36.63 126.64 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HE2' HD21 ' A' ' 13' ' ' LEU . 52.4 tttm -47.87 -40.34 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.44 -39.18 93.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' C ' HD21 ' A' ' 44' ' ' LEU . . . -69.2 -57.2 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.55 ' HA ' HD21 ' A' ' 44' ' ' LEU . 10.8 m -60.88 -39.62 89.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.589 ' HG3' HG11 ' A' ' 8' ' ' VAL . 64.5 ttt180 -56.18 -66.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -51.09 -57.02 9.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.43 -62.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 35' ' ' ASN . 8.2 mt -46.01 -49.2 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.474 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 14.8 mtm -61.94 -34.47 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.64 -41.17 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.564 HD21 HG21 ' A' ' 43' ' ' VAL . 2.9 m-80 -92.29 28.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.31 65.89 3.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' LEU . 13.8 m120 41.58 43.26 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.65 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 30.1 m-20 -87.67 105.13 17.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 15' ' ' HIS . 54.8 tp -50.84 -50.72 56.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.5 mt-10 -71.93 -67.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.73 -40.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.83 -66.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.605 ' HA ' HD12 ' A' ' 44' ' ' LEU . 11.0 mt -49.33 -57.03 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 11.2 m-80 -35.22 -53.72 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.564 HG21 HD21 ' A' ' 33' ' ' ASN . 93.4 t -63.84 -55.28 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.9 mt -50.65 -30.13 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' THR . 19.0 mt -85.06 -65.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 27' ' ' ARG . 5.5 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.801 0.334 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' GLU . 41.0 t0 -79.11 94.82 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ASP . 5.6 mt-10 -36.41 -55.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -44.05 -44.12 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -78.17 -38.48 43.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 17' ' ' THR . 4.0 tp -58.55 -56.76 17.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -55.01 -59.25 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.446 ' CD2' HD11 ' A' ' 37' ' ' LEU . 65.9 t60 -38.53 -33.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.541 HD12 HD11 ' A' ' 30' ' ' LEU . 59.0 mt -82.06 -58.95 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 13' ' ' LEU . 43.7 p -44.35 -28.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.75 -47.09 87.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 1.007 ' CE ' HD11 ' A' ' 41' ' ' LEU . 28.8 mtm -57.79 -24.97 59.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.5 63.44 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -134.59 153.33 52.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.9 m -73.13 120.37 18.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' SER . 42.6 tttm -37.32 -47.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.72 -51.08 70.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.13 -51.16 65.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 m -60.41 -51.38 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.74 ' HG3' HG11 ' A' ' 8' ' ' VAL . 34.0 ttp85 -45.78 -57.05 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -59.83 -54.86 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -41.33 -60.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.541 HD11 HD12 ' A' ' 16' ' ' ILE . 9.2 mt -56.05 -52.85 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.1 mmm -52.51 -22.84 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -89.49 -30.54 18.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.52 HD21 HG21 ' A' ' 43' ' ' VAL . 2.0 m-80 -100.77 30.76 3.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.45 51.84 48.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 48.98 46.76 22.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.766 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 65.9 m-20 -87.88 106.4 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 15' ' ' HIS . 46.5 tp -48.96 -54.08 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 5.0 mt-10 -74.17 -67.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.766 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.7 -43.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -42.2 -65.99 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.007 HD11 ' CE ' ' A' ' 19' ' ' MET . 5.8 mt -49.96 -58.26 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.5 m-80 -34.42 -54.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.52 HG21 HD21 ' A' ' 33' ' ' ASN . 87.6 t -61.25 -43.73 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 41' ' ' LEU . 18.0 mt -61.67 -35.24 77.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' THR . 11.1 mt -82.97 -66.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LEU . 11.7 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.427 HG11 ' HG3' ' A' ' 27' ' ' ARG . 8.0 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 8' ' ' VAL . 61.1 t0 -98.41 97.91 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -40.0 -52.91 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -45.75 -45.76 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.423 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -73.82 -37.2 64.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.735 HD21 ' HD2' ' A' ' 23' ' ' LYS . 4.6 tp -60.53 -60.75 3.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -46.97 -56.3 6.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -41.24 -37.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.8 mt -79.79 -60.61 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.9 p -37.77 -35.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -53.83 -46.69 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.0 mtt -56.66 -23.95 45.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.99 57.82 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 37.3 m-85 -127.49 140.3 52.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -61.59 130.83 47.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.735 ' HD2' HD21 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -46.07 -36.48 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.65 -42.12 64.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HB1' ' CD2' ' A' ' 44' ' ' LEU . . . -62.79 -49.75 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 m -69.93 -53.77 16.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG3' HG11 ' A' ' 8' ' ' VAL . 39.9 ttm180 -49.7 -63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -50.68 -46.88 58.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.15 -67.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.427 ' CB ' HG23 ' A' ' 8' ' ' VAL . 10.2 mt -41.83 -50.68 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.7 mtp -52.61 -36.01 55.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -87.71 -17.21 32.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' N ' HD22 ' A' ' 33' ' ' ASN . 1.8 m-80 -106.5 30.89 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.76 50.09 26.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.429 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 m120 49.31 44.3 23.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.639 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 18.7 m-20 -89.77 105.75 18.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 12' ' ' ALA . 49.2 tp -50.57 -50.86 52.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 3.4 mt-10 -71.67 -68.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.639 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.69 -44.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.91 -67.36 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.51 HD23 ' CE2' ' A' ' 21' ' ' PHE . 9.3 mt -48.78 -57.54 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' HG22 ' A' ' 46' ' ' THR . 8.3 m-80 -34.52 -57.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.01 -39.95 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.511 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 11.8 mt -72.05 -24.39 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 mt -86.1 -68.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 42' ' ' ASN . 8.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.487 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.6 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.801 0.334 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.436 ' N ' HD22 ' A' ' 35' ' ' ASN . 29.1 t70 -92.38 95.64 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -41.23 -51.27 3.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -46.77 -44.52 19.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.91 -42.0 58.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tp -50.56 -57.71 7.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' HIS . 13.7 ttpt -47.03 -60.17 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' LYS . 78.5 t60 -35.56 -39.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mt -78.42 -59.06 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 p -39.69 -40.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -50.78 -43.43 58.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.659 ' SD ' HD21 ' A' ' 41' ' ' LEU . 9.1 mtt -59.15 -25.35 63.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.48 41.57 0.79 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -112.52 144.24 42.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -61.45 125.69 24.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -48.38 -38.62 19.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -65.95 -45.17 82.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.96 -49.07 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -63.99 -40.66 96.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.487 ' HG3' HG11 ' A' ' 8' ' ' VAL . 37.7 ttm180 -59.45 -57.29 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -55.5 -59.23 5.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.14 -63.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 35' ' ' ASN . 9.6 mt -42.96 -49.67 5.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.4 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 21.6 mtp -60.38 -38.2 83.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.91 -38.2 76.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 3.1 m-80 -95.61 27.22 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.78 67.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.0 m120 39.43 41.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.701 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 13.6 m-20 -87.34 99.0 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HA ' HD21 ' A' ' 30' ' ' LEU . 38.7 tp -47.67 -50.79 23.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 3.9 mt-10 -70.76 -67.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.701 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.88 -37.96 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.22 -65.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.659 HD21 ' SD ' ' A' ' 19' ' ' MET . 6.3 mt -49.46 -53.75 21.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 10.5 m-80 -37.94 -58.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.7 t -59.16 -53.64 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 41' ' ' LEU . 16.1 mt -49.9 -34.73 21.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 46' ' ' THR . 32.7 mt -79.44 -64.01 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' LEU . 33.0 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 9' ' ' ASP . 5.7 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.863 0.364 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 8' ' ' VAL . 62.8 t0 -99.24 98.08 9.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -38.79 -55.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -42.92 -45.04 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.86 57.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.429 HD12 ' OG ' ' A' ' 26' ' ' SER . 6.9 tp -58.78 -54.96 41.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' HIS . 5.7 tptm -57.2 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' LYS . 62.9 t60 -34.4 -41.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.2 mt -72.64 -48.77 44.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.877 HG21 ' HE3' ' A' ' 23' ' ' LYS . 77.1 p -53.65 -24.75 15.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.87 -20.55 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.757 ' CE ' HD11 ' A' ' 41' ' ' LEU . 39.8 mtm -96.46 19.1 12.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.56 66.46 2.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' SER . 26.1 m-85 -132.04 119.38 20.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 4.1 m -37.52 122.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.877 ' HE3' HG21 ' A' ' 17' ' ' THR . 0.5 OUTLIER -39.82 -43.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.74 -44.16 57.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 22' ' ' SER . . . -46.99 -52.44 14.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.429 ' OG ' HD12 ' A' ' 13' ' ' LEU . 12.4 t -66.38 -58.79 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 26.8 ttt180 -38.3 -65.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -47.12 -64.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -39.88 -59.89 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -45.03 -52.23 9.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.2 mtp -57.05 -38.13 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.45 -45.69 75.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.629 HD21 HG21 ' A' ' 43' ' ' VAL . 4.8 m-80 -79.8 -13.98 59.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.07 58.29 1.6 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 m120 58.05 26.85 14.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.691 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 3.2 t-20 -75.11 110.86 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.29 -49.97 67.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 14.4 mt-10 -73.2 -67.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.602 ' HB3' ' CG ' ' A' ' 36' ' ' ASN . . . -40.37 -39.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -42.12 -67.99 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.757 HD11 ' CE ' ' A' ' 19' ' ' MET . 6.8 mt -48.54 -55.56 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.2 m-80 -36.88 -52.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.629 HG21 HD21 ' A' ' 33' ' ' ASN . 88.4 t -64.08 -49.57 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 25' ' ' ALA . 7.8 mt -62.39 -20.53 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.48 -65.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG23 ' CB ' ' A' ' 30' ' ' LEU . 12.0 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.494 ' N ' HD22 ' A' ' 35' ' ' ASN . 26.4 t70 -96.05 94.8 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ASP . 17.6 mt-10 -34.45 -54.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -46.37 -44.86 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -73.56 -31.25 63.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.615 HD12 ' HB2' ' A' ' 26' ' ' SER . 8.2 tp -65.84 -62.66 1.38 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.85 -55.5 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.433 ' CD2' HD11 ' A' ' 37' ' ' LEU . 66.6 t60 -42.19 -36.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.0 mt -79.04 -47.07 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -55.07 -25.58 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.88 -13.9 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.0 mtm -103.5 23.04 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.16 57.87 5.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -129.41 118.79 22.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -37.97 132.77 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -54.45 -14.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.38 -43.82 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.18 -46.32 62.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.615 ' HB2' HD12 ' A' ' 13' ' ' LEU . 7.4 m -75.37 -50.02 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -45.34 -59.98 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -52.15 -58.8 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.92 -58.04 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' CB ' HG23 ' A' ' 8' ' ' VAL . 10.8 mt -45.7 -49.37 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 28.5 mtp -58.91 -31.31 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -77.78 -43.84 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.48 HD21 HG21 ' A' ' 43' ' ' VAL . 11.1 m-80 -79.4 -13.7 59.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.55 61.51 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 9' ' ' ASP . 5.4 m120 51.19 30.36 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.706 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 16.3 m-20 -79.36 107.02 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 12' ' ' ALA . 48.3 tp -55.32 -59.82 4.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.503 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.2 -67.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.706 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.7 -38.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -48.37 -65.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 44' ' ' LEU . 8.0 mt -49.37 -53.94 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 10.1 m-80 -36.77 -54.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.48 HG21 HD21 ' A' ' 33' ' ' ASN . 71.4 t -60.53 -35.16 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.2 mt -76.8 -23.9 52.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.47 -62.23 1.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.707 HG11 ' HG3' ' A' ' 27' ' ' ARG . 3.1 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.814 0.34 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 8' ' ' VAL . 24.7 t0 -90.29 96.46 10.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -42.84 -50.43 5.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -46.56 -45.8 18.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.39 -39.76 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.546 HD21 ' HD2' ' A' ' 23' ' ' LYS . 3.3 tp -58.58 -61.56 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -46.37 -49.22 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -47.14 -39.63 13.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' THR . 51.5 mt -77.3 -60.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ILE . 73.4 p -35.56 -35.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.5 mm-40 -51.45 -49.37 61.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.4 mtt -57.74 -29.46 64.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.22 65.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.546 ' CE2' HD23 ' A' ' 41' ' ' LEU . 40.4 m-85 -129.57 148.42 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.9 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -64.19 125.01 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HD2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -45.26 -45.98 12.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.41 -39.15 88.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.66 -57.19 10.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.41 ' HB2' HD12 ' A' ' 13' ' ' LEU . 13.1 m -64.13 -44.01 93.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.707 ' HG3' HG11 ' A' ' 8' ' ' VAL . 30.2 ttm-85 -56.42 -54.25 47.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -62.19 -51.04 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.63 -58.51 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -46.84 -53.82 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.9 mtp -52.15 -23.9 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -87.83 -29.24 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -98.55 17.38 19.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.438 ' C ' ' OD1' ' A' ' 35' ' ' ASN . . . 62.77 37.83 95.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER 72.97 38.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.523 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 30.6 t-20 -85.76 112.99 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.21 -48.74 74.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.0 mt-10 -69.09 -68.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -39.77 -43.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -38.56 -67.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.1 mt -48.95 -57.72 6.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.3 m-80 -35.01 -60.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.41 -52.69 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 41' ' ' LEU . 9.9 mt -52.84 -32.27 43.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' THR . 19.2 mt -79.54 -62.45 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LEU . 14.4 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.594 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.1 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.891 0.377 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -90.63 100.47 13.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -44.98 -55.43 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 2.4 mmpt? -43.28 -48.04 6.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.31 -36.0 74.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 23' ' ' LYS . 3.9 tp -59.51 -53.03 62.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -54.96 -55.17 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.489 ' CD2' HD11 ' A' ' 37' ' ' LEU . 59.1 t60 -41.53 -43.4 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' THR . 30.6 mt -74.05 -61.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' ILE . 72.4 p -35.9 -39.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -45.34 -48.57 13.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.3 mtt -56.66 -31.68 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.6 51.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CE2' HD23 ' A' ' 41' ' ' LEU . 60.7 m-85 -123.47 128.13 49.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -51.84 121.37 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.731 ' HG2' HD21 ' A' ' 13' ' ' LEU . 26.5 tttt -43.26 -39.88 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 11.0 pt-20 -63.81 -42.75 97.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -66.18 -55.47 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.492 ' CB ' HD12 ' A' ' 13' ' ' LEU . 41.6 m -58.08 -46.42 85.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.594 ' HG3' HG11 ' A' ' 8' ' ' VAL . 9.4 ttt-85 -49.47 -63.41 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -52.71 -58.29 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.03 -63.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' HB2' HG23 ' A' ' 8' ' ' VAL . 13.6 mt -41.22 -52.67 3.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.418 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 6.8 mtt -48.68 -36.96 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.56 -37.88 65.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' CB ' ' HB2' ' A' ' 36' ' ' ASN . 5.4 m-80 -92.23 30.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.17 49.0 31.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 56.77 40.8 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.627 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 11.1 m-20 -85.84 107.73 17.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.489 HD11 ' CD2' ' A' ' 15' ' ' HIS . 53.5 tp -50.73 -53.1 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.4 mt-10 -69.73 -67.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.627 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.76 -41.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.13 -66.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.476 HD23 ' CE2' ' A' ' 21' ' ' PHE . 8.7 mt -48.85 -55.94 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.0 m-80 -34.83 -62.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.4 t -51.45 -55.54 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.7 mt -50.8 -38.86 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.8 mt -70.9 -59.68 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.65 HG11 ' HG3' ' A' ' 27' ' ' ARG . 6.2 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.808 0.337 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 8' ' ' VAL . 12.1 t70 -90.46 99.93 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -46.85 -53.84 11.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -45.9 -44.69 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.77 -32.97 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.729 HD21 ' HD2' ' A' ' 23' ' ' LYS . 3.4 tp -61.76 -62.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -48.0 -51.33 24.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -43.66 -38.02 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.5 mt -77.17 -43.32 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -56.21 -27.33 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -58.97 -20.34 51.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.678 ' CE ' HD11 ' A' ' 41' ' ' LEU . 36.2 mtm -97.67 15.97 21.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.85 67.44 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' SER . 25.2 m-85 -135.01 110.15 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' PHE . 24.8 m -35.41 129.46 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.729 ' HD2' HD21 ' A' ' 13' ' ' LEU . 5.6 tppt? -45.82 -43.36 13.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -67.0 -41.81 86.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.78 80.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 m -67.84 -54.31 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.65 ' HG3' HG11 ' A' ' 8' ' ' VAL . 75.0 ttt180 -48.25 -57.56 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -46.78 -54.89 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ASP . . . -51.29 -66.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 13' ' ' LEU . 13.7 mt -42.69 -39.65 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.4 mmm -69.05 -33.14 73.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' ALA . 1.2 m-20 -78.78 -56.24 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.513 HD21 HG21 ' A' ' 43' ' ' VAL . 8.3 m-80 -68.02 -27.66 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' ASN . . . 98.72 83.44 1.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' GLY . 3.1 m120 37.74 30.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.911 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 6.1 m120 -80.08 97.87 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.4 tp -54.01 -56.2 20.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.2 mt-10 -71.12 -67.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.98 -44.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -39.86 -68.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.759 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.7 mt -47.98 -57.93 5.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.9 m-80 -34.48 -52.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.513 HG21 HD21 ' A' ' 33' ' ' ASN . 74.4 t -65.27 -40.72 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.9 mt -63.93 -31.51 72.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' THR . 25.4 mt -81.44 -52.56 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 42' ' ' ASN . 21.7 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.408 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 2.7 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -79.72 95.84 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -43.5 -51.99 6.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -44.55 -46.12 9.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 -36.62 71.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.768 HD21 ' HD2' ' A' ' 23' ' ' LYS . 6.2 tp -62.15 -56.51 18.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -51.82 -60.23 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.513 ' CD2' HD11 ' A' ' 37' ' ' LEU . 50.9 t60 -39.83 -34.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' MET . 77.5 mt -82.41 -60.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.5 p -39.21 -43.56 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.46 -42.5 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.752 ' SD ' HD11 ' A' ' 41' ' ' LEU . 5.9 mtt -56.57 -26.02 54.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.59 44.08 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 42.7 m-85 -119.99 138.4 53.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 23' ' ' LYS . 5.0 m -60.14 123.75 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.768 ' HD2' HD21 ' A' ' 13' ' ' LEU . 18.6 tptp -37.26 -55.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -57.99 -47.58 82.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.64 -52.76 62.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.487 ' HB3' HD12 ' A' ' 13' ' ' LEU . 8.5 t -62.19 -48.49 79.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -48.52 -58.62 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -50.46 -59.37 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.43 ' C ' ' OD1' ' A' ' 33' ' ' ASN . . . -42.96 -61.76 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 13' ' ' LEU . 14.3 mt -45.57 -50.66 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.1 mmm -57.85 -25.59 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -92.43 -23.51 19.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.515 ' ND2' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -97.94 30.87 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.26 25.62 12.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 8' ' ' VAL . 3.4 m120 71.32 48.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.882 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 3.8 t-20 -98.16 116.45 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 15' ' ' HIS . 48.6 tp -56.08 -50.95 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.491 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.8 mt-10 -73.18 -68.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.882 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -37.86 -43.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -40.3 -67.99 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.752 HD11 ' SD ' ' A' ' 19' ' ' MET . 6.7 mt -48.25 -57.62 5.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.514 ' O ' HG22 ' A' ' 46' ' ' THR . 9.8 m-80 -34.66 -56.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.515 HG21 ' ND2' ' A' ' 33' ' ' ASN . 79.7 t -58.8 -44.69 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 41' ' ' LEU . 17.2 mt -62.04 -31.72 72.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 46' ' ' THR . 18.2 mt -83.24 -68.01 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 42' ' ' ASN . 11.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.474 HG11 ' HG3' ' A' ' 27' ' ' ARG . 6.3 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.473 ' N ' HD22 ' A' ' 35' ' ' ASN . 37.7 t70 -94.02 95.94 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.96 -52.32 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -45.04 -44.69 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.14 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.41 -61.77 2.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -46.12 -60.2 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -39.11 -36.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' THR . 38.7 mt -79.82 -62.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' ILE . 66.7 p -36.36 -35.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -54.46 -48.76 71.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.6 mtt -56.6 -18.99 13.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.04 57.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -129.65 130.56 45.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 t -47.52 119.02 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -39.75 -42.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -65.39 -46.23 80.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.03 85.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -68.08 -49.74 59.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.474 ' HG3' HG11 ' A' ' 8' ' ' VAL . 41.2 ttt180 -47.2 -62.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' ALA . 4.4 tp60 -51.62 -63.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . -35.78 -55.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' ASN . 10.6 mt -50.44 -49.92 53.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.0 mtt -59.29 -39.2 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.89 -37.55 76.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 61.0 m-80 -94.04 23.9 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.03 65.24 3.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.473 HD22 ' N ' ' A' ' 9' ' ' ASP . 5.6 m120 42.95 40.33 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.789 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 16.7 m-20 -84.14 109.18 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.5 tp -54.89 -53.47 54.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.501 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 2.9 mt-10 -73.14 -67.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.789 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.45 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -55.06 -56.22 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.2 mt -64.06 -54.69 30.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 10.1 m-80 -39.8 -52.15 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.42 -41.28 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 41' ' ' LEU . 14.8 mt -64.56 -34.03 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.97 -47.07 26.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.921 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.757 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.1 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -85.77 100.79 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -41.85 -52.34 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -43.98 -45.48 7.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.07 -35.65 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 26' ' ' SER . 3.3 tp -62.21 -56.64 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -54.46 -47.55 72.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.462 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 53.4 t60 -51.91 -34.65 42.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.3 mt -79.42 -55.16 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p -42.92 -40.15 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.01 -44.2 60.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.792 ' SD ' HD11 ' A' ' 41' ' ' LEU . 6.0 mtt -58.39 -26.69 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.42 59.31 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.56 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 35.9 m-85 -127.98 163.69 23.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -80.92 124.32 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -37.91 -47.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 17.9 pt-20 -65.3 -48.27 73.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -55.67 -48.06 75.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.506 ' HB2' HD12 ' A' ' 13' ' ' LEU . 14.4 m -67.02 -51.67 51.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.757 ' HG3' HG11 ' A' ' 8' ' ' VAL . 65.9 ttt180 -52.81 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -50.61 -49.11 57.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.66 -63.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -45.5 -50.13 13.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.42 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 22.4 mtp -55.82 -31.21 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -81.6 -24.22 36.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.742 HD21 HG21 ' A' ' 43' ' ' VAL . 10.1 m-80 -106.33 28.49 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.56 52.29 46.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 50.25 42.33 25.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.679 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 47.6 m-20 -88.43 109.27 19.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.401 HD11 ' CD2' ' A' ' 15' ' ' HIS . 57.1 tp -50.78 -56.44 12.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.6 mt-10 -69.07 -67.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.679 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.73 -43.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -41.71 -65.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.792 HD11 ' SD ' ' A' ' 19' ' ' MET . 11.0 mt -50.5 -57.36 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 7.9 m-80 -34.63 -50.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.742 HG21 HD21 ' A' ' 33' ' ' ASN . 96.6 t -64.73 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 41' ' ' LEU . 8.3 mt -66.92 -29.44 69.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.87 -60.78 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.553 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.4 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -95.15 96.33 9.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.09 -55.61 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 2.2 mppt? -46.45 -44.46 17.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.54 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.408 ' HA ' HD11 ' A' ' 30' ' ' LEU . 3.8 tp -60.23 -56.14 25.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.8 -58.46 3.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -39.31 -41.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.4 mt -74.03 -62.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -40.42 -40.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -49.76 -43.84 48.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 36.5 mtt -57.04 -30.74 64.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.94 47.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 47.4 m-85 -118.33 140.32 50.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.4 m -55.9 120.3 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -39.39 -46.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.5 -44.69 90.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.1 -48.09 81.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -68.8 -59.92 2.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.553 ' HG3' HG11 ' A' ' 8' ' ' VAL . 42.0 ttm180 -40.19 -59.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -54.82 -46.08 74.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.03 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' A' ' 13' ' ' LEU . 9.9 mt -41.94 -52.08 4.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 35.9 mtp -49.72 -43.37 47.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -68.54 -37.96 80.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' HG21 ' A' ' 43' ' ' VAL . 20.2 m-80 -91.82 30.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.2 54.46 12.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 52.0 47.78 24.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.819 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 19.3 m-20 -90.84 103.23 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.1 tp -45.78 -57.22 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 7.1 mt-10 -72.2 -67.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.819 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.88 -38.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -46.35 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.806 ' HA ' HD12 ' A' ' 44' ' ' LEU . 6.4 mt -49.05 -57.03 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 13.3 m-80 -34.5 -57.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.439 HG21 ' OD1' ' A' ' 33' ' ' ASN . 95.5 t -53.71 -42.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' A' ' 41' ' ' LEU . 8.0 mt -67.79 -35.81 79.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.83 -60.03 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.619 HG11 ' HG3' ' A' ' 27' ' ' ARG . 5.8 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.838 0.351 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -79.75 95.81 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -41.27 -47.51 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -48.58 -44.19 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.98 -32.31 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.52 -58.17 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -44.83 -55.88 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -44.64 -41.6 6.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' THR . 75.7 mt -73.98 -61.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ILE . 41.2 p -36.91 -34.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -53.86 -47.79 70.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.8 mtt -56.42 -28.29 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.11 49.47 0.45 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -118.06 126.14 51.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.7 m -43.98 122.29 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -41.51 -33.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -72.3 -48.61 40.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.78 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -67.17 -60.78 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.619 ' HG3' HG11 ' A' ' 8' ' ' VAL . 11.8 ttt85 -38.85 -56.84 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -57.21 -61.75 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.44 -57.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -47.3 -52.3 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.3 mtp -57.7 -27.38 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.88 -43.33 20.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.549 HD21 HG21 ' A' ' 43' ' ' VAL . 51.1 m-80 -80.63 -7.37 59.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.83 56.16 2.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 56.08 33.16 21.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.821 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 3.2 t-20 -88.28 108.18 19.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -56.89 -50.75 71.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 3.3 mt-10 -67.97 -68.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.821 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -38.69 -41.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.83 -62.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.615 ' HA ' HD12 ' A' ' 44' ' ' LEU . 9.9 mt -53.45 -58.14 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 7.4 m-80 -34.38 -54.12 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 33' ' ' ASN . 69.3 t -60.89 -49.55 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 41' ' ' LEU . 17.4 mt -56.14 -35.16 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' THR . 13.2 mt -77.19 -60.68 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LEU . 19.1 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.593 HG11 ' HG3' ' A' ' 27' ' ' ARG . 14.8 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . 17.3 t70 -94.22 94.1 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' ASP . 23.5 mm-40 -36.58 -53.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -48.57 -41.46 30.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -78.67 -27.5 45.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tp -70.91 -60.43 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.02 -48.72 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -53.77 -42.56 68.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.545 HD12 HD11 ' A' ' 30' ' ' LEU . 94.1 mt -67.5 -49.93 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.3 p -51.24 -30.04 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -54.85 -26.71 37.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.0 mtt -90.78 20.76 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.58 68.49 1.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.541 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 14.6 m-85 -135.28 109.3 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' PHE . 2.0 m -34.57 127.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -45.73 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 7.0 pt-20 -63.4 -38.47 91.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.453 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -65.45 -51.84 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.7 t -65.89 -52.92 45.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.593 ' HG3' HG11 ' A' ' 8' ' ' VAL . 38.3 ttm180 -42.74 -67.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 29' ' ' ALA . 26.7 tp60 -44.57 -65.27 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . -35.52 -65.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.545 HD11 HD12 ' A' ' 16' ' ' ILE . 8.4 mt -43.47 -47.59 7.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 33.2 mtp -61.52 -38.69 88.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.53 -34.3 69.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.518 HD21 HG21 ' A' ' 43' ' ' VAL . 2.3 m-80 -97.91 28.25 4.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.01 70.95 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.446 ' ND2' ' HA ' ' A' ' 8' ' ' VAL . 7.2 m120 39.44 52.84 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.96 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 24.4 m-20 -96.4 104.27 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.7 tp -52.55 -62.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.501 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 1.4 mp0 -68.04 -68.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.96 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.61 -40.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -45.56 -66.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.724 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.2 mt -48.87 -54.86 13.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.4 m-80 -36.34 -57.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.518 HG21 HD21 ' A' ' 33' ' ' ASN . 84.3 t -55.83 -40.2 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 41' ' ' LEU . 11.1 mt -67.89 -34.46 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.3 mt -76.13 -64.32 1.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.497 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLU . 23.7 t0 -100.59 95.84 6.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' LEU . 1.8 mp0 -34.99 -56.21 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -41.79 -44.86 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -75.56 -28.69 59.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' GLU . 7.4 tp -69.97 -61.49 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -43.57 -57.92 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -39.88 -42.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.2 mt -74.42 -57.38 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -41.72 -34.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -59.01 -43.53 91.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.634 ' SD ' HD11 ' A' ' 41' ' ' LEU . 3.0 mtt -59.88 -23.83 63.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.41 53.1 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.535 ' CE2' HD23 ' A' ' 41' ' ' LEU . 25.1 m-85 -126.21 132.69 51.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -45.74 128.79 8.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -51.88 -16.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -97.65 -43.28 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.58 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -74.48 -48.23 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.497 ' HG3' HG11 ' A' ' 8' ' ' VAL . 48.5 ttp85 -49.72 -57.95 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -56.94 -47.27 81.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.47 -61.41 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -43.22 -52.57 5.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.7 mtp -51.49 -31.63 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -80.8 -28.24 36.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -95.44 7.63 45.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.78 38.19 66.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 m120 71.62 32.8 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.769 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 6.0 t-20 -81.66 117.84 22.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.03 -52.15 63.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.9 mt-10 -70.41 -67.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.769 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -38.18 -38.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -45.61 -64.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.715 ' HA ' HD12 ' A' ' 44' ' ' LEU . 10.1 mt -52.15 -59.1 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.7 m-80 -35.3 -59.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.39 -36.94 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.0 mt -72.98 -36.59 67.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.37 -63.61 1.29 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 42' ' ' ASN . 12.9 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.662 HG11 ' HG2' ' A' ' 27' ' ' ARG . 7.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.857 0.361 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -94.97 93.87 7.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -41.43 -43.18 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -52.57 -42.71 64.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.94 -39.15 24.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.771 HD21 ' HD2' ' A' ' 23' ' ' LYS . 7.6 tp -57.44 -50.2 73.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 tttt -53.19 -49.46 66.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -49.11 -44.09 41.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 17' ' ' THR . 54.6 mt -70.1 -60.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 16' ' ' ILE . 34.3 p -35.48 -37.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -52.19 -48.68 64.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.5 mtt -56.74 -24.31 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.74 65.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 36.2 m-85 -134.33 133.76 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' ALA . 1.1 t -52.07 121.66 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.771 ' HD2' HD21 ' A' ' 13' ' ' LEU . 10.9 tppt? -34.32 -39.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 12.6 pt-20 -71.5 -47.29 56.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' SER . . . -54.58 -50.93 66.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -69.67 -59.49 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.662 ' HG2' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -47.05 -66.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -43.29 -55.0 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.45 -54.18 15.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 35' ' ' ASN . 7.4 mt -50.04 -52.08 37.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.456 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 15.1 mtm -56.92 -33.88 67.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -41.23 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.734 HD21 HG21 ' A' ' 43' ' ' VAL . 39.8 m-80 -86.4 -0.23 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.11 60.34 2.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.8 m120 47.64 30.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.877 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -82.02 102.62 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 tp -50.85 -52.85 37.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 9.8 mt-10 -65.23 -68.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.877 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -38.98 -43.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.33 -66.51 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.62 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.7 mt -49.85 -57.94 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.2 m-80 -34.05 -49.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.734 HG21 HD21 ' A' ' 33' ' ' ASN . 87.9 t -64.33 -43.98 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.0 mt -62.14 -38.15 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 mt -75.26 -57.02 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.8 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.7 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.831 0.348 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -91.4 94.89 9.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -37.97 -50.5 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -47.56 -44.65 26.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.54 55.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.584 HD12 ' HB2' ' A' ' 26' ' ' SER . 8.1 tp -62.18 -59.85 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -42.85 -57.33 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.478 ' CD2' HD11 ' A' ' 37' ' ' LEU . 86.4 t60 -40.23 -38.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLU . 43.9 mt -77.21 -60.87 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 p -39.71 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.3 mm-40 -64.78 -45.7 85.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.699 ' CE ' HD11 ' A' ' 41' ' ' LEU . 25.6 mtm -63.99 -19.8 65.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.48 72.09 0.71 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' SER . 34.2 m-85 -141.51 118.44 11.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' PHE . 3.0 t -34.45 112.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -38.29 -34.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.5 -49.72 30.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -52.01 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.584 ' HB2' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -59.29 -60.71 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.8 ' HG3' HG11 ' A' ' 8' ' ' VAL . 46.9 ttt180 -36.24 -63.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -52.12 -54.04 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.08 -65.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 36' ' ' ASN . 6.5 mt -45.78 -51.86 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.434 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 15.9 mtm -55.45 -32.73 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.05 -36.12 64.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.629 HD21 HG21 ' A' ' 43' ' ' VAL . 2.5 m-80 -90.14 -6.85 54.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.16 52.92 2.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 60.75 27.78 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.688 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 58.7 m-20 -77.66 108.64 11.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.478 HD11 ' CD2' ' A' ' 15' ' ' HIS . 41.3 tp -57.13 -58.82 6.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.5 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -66.41 -67.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.688 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -37.05 -42.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -42.98 -63.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.699 HD11 ' CE ' ' A' ' 19' ' ' MET . 5.8 mt -52.96 -58.09 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 7.2 m-80 -34.47 -51.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.629 HG21 HD21 ' A' ' 33' ' ' ASN . 97.3 t -60.58 -48.72 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 41' ' ' LEU . 6.0 mt -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' THR . 24.8 mt -84.53 -68.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' LEU . 14.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.775 0.321 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -84.86 96.08 9.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -40.74 -49.93 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -47.76 -45.0 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -76.98 -30.27 55.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 27' ' ' ARG . 8.7 tp -69.09 -63.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' HIS . 24.1 ttpt -49.54 -56.11 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' LYS . 28.0 t60 -37.09 -42.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' GLU . 80.4 mt -71.71 -58.01 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ILE . 25.5 p -35.39 -31.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' ILE . 14.9 mm-40 -54.24 -49.6 69.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.694 ' HE3' HD21 ' A' ' 41' ' ' LEU . 29.2 mtm -59.4 -20.2 53.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.9 61.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 40.5 m-85 -132.84 113.1 12.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' PHE . 63.8 m -37.31 126.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -46.62 -31.87 3.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -68.67 -52.79 27.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.88 86.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.074 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.444 ' HB2' HD12 ' A' ' 13' ' ' LEU . 3.2 p -69.03 -59.79 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' A' ' 13' ' ' LEU . 17.0 ttp180 -40.57 -57.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -53.22 -54.06 41.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.09 -67.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 36' ' ' ASN . 10.2 mt -44.92 -54.29 6.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 30.9 mmm -49.31 -27.8 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -87.1 -29.88 21.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.458 ' OD1' ' HB1' ' A' ' 39' ' ' ALA . 2.6 m-80 -96.78 18.04 15.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.409 ' C ' ' OD1' ' A' ' 35' ' ' ASN . . . 59.66 40.59 96.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 34' ' ' GLY . 1.3 m120 72.6 45.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.612 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 17.8 t-20 -92.56 113.15 25.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 12' ' ' ALA . 55.2 tp -63.75 -49.46 72.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.1 mt-10 -70.72 -68.4 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -40.71 -37.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -44.5 -66.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.694 HD21 ' HE3' ' A' ' 19' ' ' MET . 7.2 mt -50.38 -56.53 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 46' ' ' THR . 9.0 m-80 -33.54 -48.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -66.43 -50.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 7.5 mt -59.32 -25.77 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.72 -38.93 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 42' ' ' ASN . 55.5 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.821 HG11 ' HG3' ' A' ' 27' ' ' ARG . 4.7 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.897 0.38 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 10.3 t70 -83.5 100.89 11.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -46.8 -55.34 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -48.59 -43.41 35.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . . . -75.59 -25.56 57.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 26' ' ' SER . 6.1 tp -72.66 -66.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -44.66 -44.27 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.432 ' CD2' HD11 ' A' ' 37' ' ' LEU . 35.0 t60 -51.48 -36.69 45.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.2 mt -80.3 -57.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.7 p -40.41 -31.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.62 -45.46 73.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.3 mtt -58.66 -27.99 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.58 43.68 0.45 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.539 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 56.4 m-85 -111.54 143.6 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.876 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -61.8 130.24 44.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -53.01 -38.48 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -67.79 -38.29 83.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.16 -48.74 50.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.621 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.2 m -66.6 -47.04 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.821 ' HG3' HG11 ' A' ' 8' ' ' VAL . 20.1 ttm180 -50.51 -54.2 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -66.18 -55.42 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.0 -57.58 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' CB ' HG23 ' A' ' 8' ' ' VAL . 9.2 mt -47.95 -52.02 21.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.442 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 13.2 mtm -57.45 -35.32 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.58 -44.04 75.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -82.19 -12.97 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.81 58.98 1.65 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m120 54.61 37.38 27.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.734 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 3.1 m-20 -88.1 101.83 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD11 ' CD2' ' A' ' 15' ' ' HIS . 57.8 tp -50.63 -55.84 14.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 5.6 mt-10 -71.21 -67.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.734 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.69 -39.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -46.9 -63.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.5 mt -52.61 -56.8 12.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.6 m-80 -34.39 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.3 t -46.69 -51.67 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.0 mt -60.49 -33.09 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.33 -59.76 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -113.77 137.38 51.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t 56.66 41.14 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.07 106.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 t -141.55 156.17 45.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.38 . . . . 0.0 110.858 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.3 m -49.28 176.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.59 30.68 3.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.589 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.2 p -121.96 153.48 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 111.125 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 8' ' ' VAL . 19.0 t0 -98.12 94.44 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' ASP . 22.5 mm-40 -35.82 -54.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -45.13 -45.12 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -73.43 -36.17 65.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.557 HD21 ' HE2' ' A' ' 23' ' ' LYS . 5.3 tp -60.79 -64.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.6 tptt -45.5 -60.31 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.477 ' CD2' HD11 ' A' ' 37' ' ' LEU . 86.2 t60 -40.23 -39.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.4 mt -77.68 -49.17 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 57.9 p -47.9 -35.46 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -49.41 -32.49 11.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 41' ' ' LEU . 47.5 mtm -88.39 26.1 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.38 73.33 0.58 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' SER . 35.2 m-85 -138.04 106.89 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.874 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 21' ' ' PHE . 73.1 p -36.63 126.64 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.837 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HE2' HD21 ' A' ' 13' ' ' LEU . 52.4 tttm -47.87 -40.34 21.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.44 -39.18 93.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' C ' HD21 ' A' ' 44' ' ' LEU . . . -69.2 -57.2 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.55 ' HA ' HD21 ' A' ' 44' ' ' LEU . 10.8 m -60.88 -39.62 89.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.589 ' HG3' HG11 ' A' ' 8' ' ' VAL . 64.5 ttt180 -56.18 -66.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -51.09 -57.02 9.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.43 -62.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 35' ' ' ASN . 8.2 mt -46.01 -49.2 16.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.474 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 14.8 mtm -61.94 -34.47 76.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.64 -41.17 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.564 HD21 HG21 ' A' ' 43' ' ' VAL . 2.9 m-80 -92.29 28.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.31 65.89 3.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' LEU . 13.8 m120 41.58 43.26 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.65 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 30.1 m-20 -87.67 105.13 17.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.477 HD11 ' CD2' ' A' ' 15' ' ' HIS . 54.8 tp -50.84 -50.72 56.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.492 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.5 mt-10 -71.93 -67.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.65 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.73 -40.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.83 -66.33 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.605 ' HA ' HD12 ' A' ' 44' ' ' LEU . 11.0 mt -49.33 -57.03 7.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 11.2 m-80 -35.22 -53.72 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.564 HG21 HD21 ' A' ' 33' ' ' ASN . 93.4 t -63.84 -55.28 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.9 mt -50.65 -30.13 12.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 46' ' ' THR . 19.0 mt -85.06 -65.74 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 45' ' ' LEU . 21.3 p -34.98 -49.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.7 m -66.47 -45.1 80.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 45' ' ' LEU . 50.1 t30 -71.53 139.31 49.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 84.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -144.12 148.77 35.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -96.14 143.93 26.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.538 0.685 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 121.91 8.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.305 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.0 t -111.74 96.39 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' GLY . 18.3 ttm -108.4 76.65 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' MET . . . 37.98 -158.12 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.489 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 152.75 69.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 103.58 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -88.09 -35.22 17.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.09 145.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -50.73 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 53.9 p -149.46 148.47 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 t -79.27 91.82 5.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 t -85.14 -60.46 2.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -62.12 172.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.2 96.15 0.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -150.58 121.11 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.804 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -172.14 130.62 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.15 -40.68 98.88 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.74 HG11 ' HG3' ' A' ' 27' ' ' ARG . 5.5 p -78.65 144.11 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' GLU . 41.0 t0 -79.11 94.82 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ASP . 5.6 mt-10 -36.41 -55.3 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -44.05 -44.12 7.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -78.17 -38.48 43.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.422 ' O ' HG23 ' A' ' 17' ' ' THR . 4.0 tp -58.55 -56.76 17.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -55.01 -59.25 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.446 ' CD2' HD11 ' A' ' 37' ' ' LEU . 65.9 t60 -38.53 -33.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.541 HD12 HD11 ' A' ' 30' ' ' LEU . 59.0 mt -82.06 -58.95 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 13' ' ' LEU . 43.7 p -44.35 -28.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -60.75 -47.09 87.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 1.007 ' CE ' HD11 ' A' ' 41' ' ' LEU . 28.8 mtm -57.79 -24.97 59.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.5 63.44 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -134.59 153.33 52.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.9 m -73.13 120.37 18.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 22' ' ' SER . 42.6 tttm -37.32 -47.87 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.72 -51.08 70.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.13 -51.16 65.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.2 m -60.41 -51.38 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.74 ' HG3' HG11 ' A' ' 8' ' ' VAL . 34.0 ttp85 -45.78 -57.05 4.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -59.83 -54.86 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.451 ' HB2' HD21 ' A' ' 44' ' ' LEU . . . -41.33 -60.94 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.541 HD11 HD12 ' A' ' 16' ' ' ILE . 9.2 mt -56.05 -52.85 62.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.1 mmm -52.51 -22.84 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -89.49 -30.54 18.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.52 HD21 HG21 ' A' ' 43' ' ' VAL . 2.0 m-80 -100.77 30.76 3.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.45 51.84 48.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 48.98 46.76 22.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.766 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 65.9 m-20 -87.88 106.4 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 15' ' ' HIS . 46.5 tp -48.96 -54.08 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 5.0 mt-10 -74.17 -67.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.766 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.7 -43.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -42.2 -65.99 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.007 HD11 ' CE ' ' A' ' 19' ' ' MET . 5.8 mt -49.96 -58.26 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.5 m-80 -34.42 -54.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.52 HG21 HD21 ' A' ' 33' ' ' ASN . 87.6 t -61.25 -43.73 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 41' ' ' LEU . 18.0 mt -61.67 -35.24 77.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 46' ' ' THR . 11.1 mt -82.97 -66.3 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 45' ' ' LEU . 11.7 p -34.18 -37.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' LEU . 21.8 m -76.54 -57.23 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' C ' ' OD1' ' A' ' 48' ' ' ASN . 27.5 p30 -72.8 170.55 14.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -78.01 91.7 4.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -37.86 154.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -116.13 147.06 38.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 123.21 9.86 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.256 . . . . 0.0 112.331 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 91.9 t -75.27 120.35 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.7 mmt -83.66 102.66 12.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 152.42 172.3 20.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 164.45 34.49 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.731 2.288 . . . . 0.0 112.305 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 87.27 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.8 m -117.63 174.76 5.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -122.61 81.21 0.35 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 102.14 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.284 . . . . 0.0 112.316 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.2 p -151.12 109.53 3.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.6 p -172.65 173.7 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -38.94 105.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -70.02 -44.72 68.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.65 -56.38 0.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -66.93 171.38 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -65.82 177.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.43 42.41 1.97 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG11 ' HG3' ' A' ' 27' ' ' ARG . 8.0 p -131.93 153.31 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.419 ' N ' HG22 ' A' ' 8' ' ' VAL . 61.1 t0 -98.41 97.91 9.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -40.0 -52.91 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.6 mttp -45.75 -45.76 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.423 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -73.82 -37.2 64.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.735 HD21 ' HD2' ' A' ' 23' ' ' LYS . 4.6 tp -60.53 -60.75 3.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -46.97 -56.3 6.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.1 t60 -41.24 -37.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.8 mt -79.79 -60.61 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.9 p -37.77 -35.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -53.83 -46.69 71.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.0 mtt -56.66 -23.95 45.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.99 57.82 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 37.3 m-85 -127.49 140.3 52.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -61.59 130.83 47.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.735 ' HD2' HD21 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -46.07 -36.48 5.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.65 -42.12 64.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HB1' ' CD2' ' A' ' 44' ' ' LEU . . . -62.79 -49.75 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 m -69.93 -53.77 16.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HG3' HG11 ' A' ' 8' ' ' VAL . 39.9 ttm180 -49.7 -63.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -50.68 -46.88 58.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.15 -67.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.427 ' CB ' HG23 ' A' ' 8' ' ' VAL . 10.2 mt -41.83 -50.68 4.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.7 mtp -52.61 -36.01 55.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -87.71 -17.21 32.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' N ' HD22 ' A' ' 33' ' ' ASN . 1.8 m-80 -106.5 30.89 5.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.76 50.09 26.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.429 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 m120 49.31 44.3 23.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.639 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 18.7 m-20 -89.77 105.75 18.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 12' ' ' ALA . 49.2 tp -50.57 -50.86 52.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 3.4 mt-10 -71.67 -68.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.639 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.69 -44.86 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.91 -67.36 0.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.51 HD23 ' CE2' ' A' ' 21' ' ' PHE . 9.3 mt -48.78 -57.54 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.57 ' O ' HG22 ' A' ' 46' ' ' THR . 8.3 m-80 -34.52 -57.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.01 -39.95 69.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.511 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 11.8 mt -72.05 -24.39 61.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.0 mt -86.1 -68.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 42' ' ' ASN . 8.4 t -36.62 -36.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -125.37 77.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -109.19 -43.36 4.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -127.7 168.04 15.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -40.96 112.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 18.3 ttmt -76.6 143.31 71.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 54.3 Cg_endo -69.73 154.96 67.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.691 2.26 . . . . 0.0 112.373 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.37 117.79 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.451 ' O ' ' C ' ' A' ' 55' ' ' GLY . 76.5 mmm -118.08 85.72 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 54' ' ' MET . . . 34.07 -96.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 54' ' ' MET . 54.2 Cg_endo -69.71 148.67 65.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.258 . . . . 0.0 112.383 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 168.25 22.09 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.695 2.264 . . . . 0.0 112.286 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 t -104.68 140.75 37.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 43.56 81.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.6 3.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.392 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 62' ' ' SER . 61.3 p -164.46 154.94 14.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' SER . 23.8 p 36.38 41.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -93.31 136.62 33.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -63.34 -46.38 86.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.54 86.71 1.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -145.82 164.86 30.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.86 0.362 . . . . 0.0 110.839 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -73.25 101.5 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.61 51.96 0.73 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.447 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.487 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.6 p -129.52 145.98 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 111.166 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' N ' HD22 ' A' ' 35' ' ' ASN . 29.1 t70 -92.38 95.64 9.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -41.23 -51.27 3.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -46.77 -44.52 19.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.91 -42.0 58.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.054 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tp -50.56 -57.71 7.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 15' ' ' HIS . 13.7 ttpt -47.03 -60.17 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 14' ' ' LYS . 78.5 t60 -35.56 -39.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.2 mt -78.42 -59.06 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.0 p -39.69 -40.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -50.78 -43.43 58.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.659 ' SD ' HD21 ' A' ' 41' ' ' LEU . 9.1 mtt -59.15 -25.35 63.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.48 41.57 0.79 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -112.52 144.24 42.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.1 m -61.45 125.69 24.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -48.38 -38.62 19.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -65.95 -45.17 82.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.96 -49.07 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -63.99 -40.66 96.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.487 ' HG3' HG11 ' A' ' 8' ' ' VAL . 37.7 ttm180 -59.45 -57.29 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -55.5 -59.23 5.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.14 -63.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 35' ' ' ASN . 9.6 mt -42.96 -49.67 5.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.4 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 21.6 mtp -60.38 -38.2 83.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -69.91 -38.2 76.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.448 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 3.1 m-80 -95.61 27.22 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.78 67.91 1.95 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 30' ' ' LEU . 5.0 m120 39.43 41.85 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 0.0 110.884 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.701 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 13.6 m-20 -87.34 99.0 11.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HA ' HD21 ' A' ' 30' ' ' LEU . 38.7 tp -47.67 -50.79 23.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 3.9 mt-10 -70.76 -67.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.701 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.88 -37.96 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.22 -65.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.659 HD21 ' SD ' ' A' ' 19' ' ' MET . 6.3 mt -49.46 -53.75 21.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 10.5 m-80 -37.94 -58.94 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.7 t -59.16 -53.64 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 41' ' ' LEU . 16.1 mt -49.9 -34.73 21.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 46' ' ' THR . 32.7 mt -79.44 -64.01 1.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' LEU . 33.0 p -35.5 -40.31 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.2 m -79.1 -49.92 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -45.81 155.77 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.38 93.59 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -90.6 168.08 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -94.87 144.01 27.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 129.87 18.31 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.292 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.5 t -106.56 130.5 58.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.2 tpp -52.55 129.74 29.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 145.23 146.26 4.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 163.87 36.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.363 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.87 10.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.5 t -93.84 140.06 30.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 176.35 -158.92 25.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.523 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -12.14 32.4 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.71 2.273 . . . . 0.0 112.394 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m -106.56 107.04 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -114.47 172.25 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -163.64 175.08 10.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -117.82 40.66 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.02 -50.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 p -63.45 153.57 34.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -92.4 166.79 12.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.31 44.13 1.27 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 9' ' ' ASP . 5.7 p -130.76 152.89 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.364 . . . . 0.0 111.151 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 8' ' ' VAL . 62.8 t0 -99.24 98.08 9.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -38.79 -55.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -42.92 -45.04 4.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.86 57.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.429 HD12 ' OG ' ' A' ' 26' ' ' SER . 6.9 tp -58.78 -54.96 41.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' HIS . 5.7 tptm -57.2 -63.04 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' LYS . 62.9 t60 -34.4 -41.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.2 mt -72.64 -48.77 44.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.877 HG21 ' HE3' ' A' ' 23' ' ' LYS . 77.1 p -53.65 -24.75 15.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -60.87 -20.55 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.757 ' CE ' HD11 ' A' ' 41' ' ' LEU . 39.8 mtm -96.46 19.1 12.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.56 66.46 2.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' SER . 26.1 m-85 -132.04 119.38 20.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB2' ' HB2' ' A' ' 25' ' ' ALA . 4.1 m -37.52 122.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.877 ' HE3' HG21 ' A' ' 17' ' ' THR . 0.5 OUTLIER -39.82 -43.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.74 -44.16 57.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HB2' ' HB2' ' A' ' 22' ' ' SER . . . -46.99 -52.44 14.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.429 ' OG ' HD12 ' A' ' 13' ' ' LEU . 12.4 t -66.38 -58.79 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 26.8 ttt180 -38.3 -65.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -47.12 -64.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -39.88 -59.89 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mt -45.03 -52.23 9.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.2 mtp -57.05 -38.13 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.45 -45.69 75.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.629 HD21 HG21 ' A' ' 43' ' ' VAL . 4.8 m-80 -79.8 -13.98 59.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.07 58.29 1.6 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 m120 58.05 26.85 14.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.691 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 3.2 t-20 -75.11 110.86 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.29 -49.97 67.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 14.4 mt-10 -73.2 -67.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.602 ' HB3' ' CG ' ' A' ' 36' ' ' ASN . . . -40.37 -39.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -42.12 -67.99 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.757 HD11 ' CE ' ' A' ' 19' ' ' MET . 6.8 mt -48.54 -55.56 10.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.2 m-80 -36.88 -52.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.629 HG21 HD21 ' A' ' 33' ' ' ASN . 88.4 t -64.08 -49.57 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.454 HD21 ' O ' ' A' ' 25' ' ' ALA . 7.8 mt -62.39 -20.53 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.48 -65.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 t -39.51 -30.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.2 m -132.93 78.18 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.12 154.44 34.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -88.11 113.85 24.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -43.82 127.2 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -107.86 146.73 34.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.543 0.687 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 140.19 42.06 Favored 'Trans proline' 0 N--CA 1.466 -0.134 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.3 p -92.11 146.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.1 ptp -119.05 84.74 2.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 46.97 -159.55 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 163.0 39.89 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -21.54 33.45 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.743 2.295 . . . . 0.0 112.349 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.6 t 62.52 46.2 5.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.82 146.49 28.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 126.06 12.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -116.38 -32.6 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.7 t -56.08 -45.3 79.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.518 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' GLY . 28.5 t -35.72 147.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.359 . . . . 0.0 110.902 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -89.74 52.07 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.07 -173.09 12.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 m -79.91 88.51 5.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.825 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t -165.64 153.46 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.78 42.16 1.81 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG23 ' CB ' ' A' ' 30' ' ' LEU . 12.0 p -131.21 142.3 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.494 ' N ' HD22 ' A' ' 35' ' ' ASN . 26.4 t70 -96.05 94.8 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ASP . 17.6 mt-10 -34.45 -54.27 0.53 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -46.37 -44.86 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -73.56 -31.25 63.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.615 HD12 ' HB2' ' A' ' 26' ' ' SER . 8.2 tp -65.84 -62.66 1.38 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.85 -55.5 5.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.433 ' CD2' HD11 ' A' ' 37' ' ' LEU . 66.6 t60 -42.19 -36.15 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.827 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.0 mt -79.04 -47.07 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.5 p -55.07 -25.58 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.88 -13.9 39.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.0 mtm -103.5 23.04 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.16 57.87 5.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.503 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -129.41 118.79 22.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -37.97 132.77 0.94 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -54.45 -14.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.38 -43.82 7.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.18 -46.32 62.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.615 ' HB2' HD12 ' A' ' 13' ' ' LEU . 7.4 m -75.37 -50.02 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -45.34 -59.98 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -52.15 -58.8 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.92 -58.04 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' CB ' HG23 ' A' ' 8' ' ' VAL . 10.8 mt -45.7 -49.37 14.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 28.5 mtp -58.91 -31.31 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -77.78 -43.84 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.48 HD21 HG21 ' A' ' 43' ' ' VAL . 11.1 m-80 -79.4 -13.7 59.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.55 61.51 1.37 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 9' ' ' ASP . 5.4 m120 51.19 30.36 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.706 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 16.3 m-20 -79.36 107.02 11.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 12' ' ' ALA . 48.3 tp -55.32 -59.82 4.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.503 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -69.2 -67.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.899 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.706 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.7 -38.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -48.37 -65.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.568 ' HA ' HD12 ' A' ' 44' ' ' LEU . 8.0 mt -49.37 -53.94 19.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 10.1 m-80 -36.77 -54.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.48 HG21 HD21 ' A' ' 33' ' ' ASN . 71.4 t -60.53 -35.16 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.568 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.2 mt -76.8 -23.9 52.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.47 -62.23 1.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.0 t -38.02 -32.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -85.42 -60.93 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -57.94 -59.54 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.69 132.03 54.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -74.18 107.57 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -118.02 148.83 44.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.519 0.676 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 111.0 2.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 53' ' ' VAL . 35.0 m -90.18 119.99 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 6.2 ptm -110.95 82.16 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 174.18 145.8 5.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 147.52 63.01 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.297 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 98.27 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t -158.08 139.6 13.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -161.85 69.76 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -42.63 3.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.333 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.6 t -135.6 109.22 7.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.779 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.0 m -104.98 107.7 18.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.1 m -110.17 168.01 9.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -101.33 42.19 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.5 150.35 21.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p -90.62 169.96 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 m -59.95 -52.75 64.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.83 -30.49 2.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.707 HG11 ' HG3' ' A' ' 27' ' ' ARG . 3.1 p -100.06 152.85 4.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 8' ' ' VAL . 24.7 t0 -90.29 96.46 10.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -42.84 -50.43 5.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -46.56 -45.8 18.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.39 -39.76 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.546 HD21 ' HD2' ' A' ' 23' ' ' LYS . 3.3 tp -58.58 -61.56 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -46.37 -49.22 18.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -47.14 -39.63 13.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' THR . 51.5 mt -77.3 -60.98 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' ILE . 73.4 p -35.56 -35.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.5 mm-40 -51.45 -49.37 61.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.4 mtt -57.74 -29.46 64.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.22 65.04 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.517 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.546 ' CE2' HD23 ' A' ' 41' ' ' LEU . 40.4 m-85 -129.57 148.42 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.9 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -64.19 125.01 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.546 ' HD2' HD21 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -45.26 -45.98 12.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -66.41 -39.15 88.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.66 -57.19 10.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.081 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.41 ' HB2' HD12 ' A' ' 13' ' ' LEU . 13.1 m -64.13 -44.01 93.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.707 ' HG3' HG11 ' A' ' 8' ' ' VAL . 30.2 ttm-85 -56.42 -54.25 47.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -62.19 -51.04 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.63 -58.51 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.1 mt -46.84 -53.82 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.9 mtp -52.15 -23.9 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -87.83 -29.24 21.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -98.55 17.38 19.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.438 ' C ' ' OD1' ' A' ' 35' ' ' ASN . . . 62.77 37.83 95.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER 72.97 38.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.523 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 30.6 t-20 -85.76 112.99 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 tp -64.21 -48.74 74.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.0 mt-10 -69.09 -68.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -39.77 -43.54 1.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -38.56 -67.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.1 mt -48.95 -57.72 6.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.3 m-80 -35.01 -60.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.0 t -56.41 -52.69 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 41' ' ' LEU . 9.9 mt -52.84 -32.27 43.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' THR . 19.2 mt -79.54 -62.45 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' LEU . 14.4 p -34.12 -43.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.7 m -63.24 -61.82 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -53.62 -64.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -114.0 136.74 52.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -87.13 125.74 34.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -121.91 148.48 51.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 164.16 35.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.61 128.87 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -128.86 96.88 4.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.4 171.78 8.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 169.94 17.65 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.72 29.29 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.355 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -117.09 174.11 6.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.59 146.24 10.71 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.19 4.94 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.626 2.217 . . . . 0.0 112.357 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.4 m -104.68 144.97 31.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.7 t -93.06 -57.31 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.505 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -121.2 42.68 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.831 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 64.31 41.53 5.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.46 82.06 0.18 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 t -107.5 127.73 53.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -158.26 160.7 37.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.2 45.92 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.594 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.1 p -135.39 139.19 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 111.072 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -90.63 100.47 13.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -44.98 -55.43 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 2.4 mmpt? -43.28 -48.04 6.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.31 -36.0 74.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.102 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 23' ' ' LYS . 3.9 tp -59.51 -53.03 62.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -54.96 -55.17 33.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.489 ' CD2' HD11 ' A' ' 37' ' ' LEU . 59.1 t60 -41.53 -43.4 2.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' THR . 30.6 mt -74.05 -61.05 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' ILE . 72.4 p -35.9 -39.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -45.34 -48.57 13.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.3 mtt -56.66 -31.68 64.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.6 51.74 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CE2' HD23 ' A' ' 41' ' ' LEU . 60.7 m-85 -123.47 128.13 49.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -51.84 121.37 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.731 ' HG2' HD21 ' A' ' 13' ' ' LEU . 26.5 tttt -43.26 -39.88 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 11.0 pt-20 -63.81 -42.75 97.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -66.18 -55.47 16.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.492 ' CB ' HD12 ' A' ' 13' ' ' LEU . 41.6 m -58.08 -46.42 85.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.594 ' HG3' HG11 ' A' ' 8' ' ' VAL . 9.4 ttt-85 -49.47 -63.41 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -52.71 -58.29 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.03 -63.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' HB2' HG23 ' A' ' 8' ' ' VAL . 13.6 mt -41.22 -52.67 3.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.418 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 6.8 mtt -48.68 -36.96 17.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -73.56 -37.88 65.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' CB ' ' HB2' ' A' ' 36' ' ' ASN . 5.4 m-80 -92.23 30.96 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.17 49.0 31.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 56.77 40.8 28.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.627 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 11.1 m-20 -85.84 107.73 17.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.489 HD11 ' CD2' ' A' ' 15' ' ' HIS . 53.5 tp -50.73 -53.1 34.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.4 mt-10 -69.73 -67.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.627 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.76 -41.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.13 -66.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 HD23 ' CE2' ' A' ' 21' ' ' PHE . 8.7 mt -48.85 -55.94 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.0 m-80 -34.83 -62.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.4 t -51.45 -55.54 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.7 mt -50.8 -38.86 50.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.8 mt -70.9 -59.68 2.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 p -40.0 -42.09 1.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.5 p -96.89 45.39 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -165.43 112.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 47.21 41.06 11.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.18 123.41 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.442 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 11.5 ttpt -89.43 142.9 30.0 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.608 0.718 . . . . 0.0 110.881 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.79 123.02 9.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.622 2.214 . . . . 0.0 112.356 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 35.1 m -66.49 152.57 9.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 22.3 ttt -162.73 133.42 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 144.41 146.32 4.48 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.51 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 168.0 22.86 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 143.41 50.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 p -46.91 119.45 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.8 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -41.66 150.03 0.27 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 133.2 24.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.7 p -57.83 151.57 17.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.5 m -92.35 157.74 16.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -86.56 85.65 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.838 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.5 m -99.36 42.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.14 -61.02 0.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.545 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -47.41 161.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -127.82 -43.43 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.93 -38.36 3.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.65 HG11 ' HG3' ' A' ' 27' ' ' ARG . 6.2 p -94.95 154.3 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.179 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 8' ' ' VAL . 12.1 t70 -90.46 99.93 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -46.85 -53.84 11.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -45.9 -44.69 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.77 -32.97 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.729 HD21 ' HD2' ' A' ' 23' ' ' LYS . 3.4 tp -61.76 -62.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 tttp -48.0 -51.33 24.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -43.66 -38.02 2.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.816 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.5 mt -77.17 -43.32 31.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.2 p -56.21 -27.33 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -58.97 -20.34 51.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.678 ' CE ' HD11 ' A' ' 41' ' ' LEU . 36.2 mtm -97.67 15.97 21.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.85 67.44 1.74 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' SER . 25.2 m-85 -135.01 110.15 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' PHE . 24.8 m -35.41 129.46 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.729 ' HD2' HD21 ' A' ' 13' ' ' LEU . 5.6 tppt? -45.82 -43.36 13.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -67.0 -41.81 86.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.78 80.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.0 m -67.84 -54.31 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.65 ' HG3' HG11 ' A' ' 8' ' ' VAL . 75.0 ttt180 -48.25 -57.56 5.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -46.78 -54.89 8.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' ASP . . . -51.29 -66.09 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 13' ' ' LEU . 13.7 mt -42.69 -39.65 2.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.4 mmm -69.05 -33.14 73.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' ALA . 1.2 m-20 -78.78 -56.24 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.513 HD21 HG21 ' A' ' 43' ' ' VAL . 8.3 m-80 -68.02 -27.66 66.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' ASN . . . 98.72 83.44 1.72 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' GLY . 3.1 m120 37.74 30.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.911 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 6.1 m120 -80.08 97.87 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.4 tp -54.01 -56.2 20.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.499 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.2 mt-10 -71.12 -67.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.98 -44.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -39.86 -68.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.759 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.7 mt -47.98 -57.93 5.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.9 m-80 -34.48 -52.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.513 HG21 HD21 ' A' ' 33' ' ' ASN . 74.4 t -65.27 -40.72 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.9 mt -63.93 -31.51 72.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 46' ' ' THR . 25.4 mt -81.44 -52.56 7.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 42' ' ' ASN . 21.7 p -38.07 -41.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 p -134.13 82.27 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.433 ' C ' ' OD1' ' A' ' 48' ' ' ASN . 7.5 t-20 -116.98 112.86 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -99.04 129.08 45.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -58.85 150.89 22.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -116.2 144.36 32.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.523 0.678 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -176.12 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -81.28 135.18 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' GLY . 3.4 ttt -105.02 102.14 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' MET . . . -36.22 146.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 165.92 29.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.323 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -178.56 2.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.372 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.5 t -44.7 -47.4 10.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.65 83.72 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.528 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.71 3.3 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.618 2.212 . . . . 0.0 112.357 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.4 m -130.48 131.67 45.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t -79.89 -48.17 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 p -73.82 90.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.882 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -112.18 88.15 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.53 -121.97 5.6 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -121.16 114.13 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.822 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -86.15 -68.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.9 32.52 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.408 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 2.7 p -123.07 142.9 37.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -79.72 95.84 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -43.5 -51.99 6.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -44.55 -46.12 9.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 -36.62 71.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.768 HD21 ' HD2' ' A' ' 23' ' ' LYS . 6.2 tp -62.15 -56.51 18.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -51.82 -60.23 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.513 ' CD2' HD11 ' A' ' 37' ' ' LEU . 50.9 t60 -39.83 -34.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 19' ' ' MET . 77.5 mt -82.41 -60.58 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.5 p -39.21 -43.56 1.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.46 -42.5 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.752 ' SD ' HD11 ' A' ' 41' ' ' LEU . 5.9 mtt -56.57 -26.02 54.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.59 44.08 0.36 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 42.7 m-85 -119.99 138.4 53.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.891 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 23' ' ' LYS . 5.0 m -60.14 123.75 18.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.768 ' HD2' HD21 ' A' ' 13' ' ' LEU . 18.6 tptp -37.26 -55.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -57.99 -47.58 82.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.64 -52.76 62.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.487 ' HB3' HD12 ' A' ' 13' ' ' LEU . 8.5 t -62.19 -48.49 79.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -48.52 -58.62 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -50.46 -59.37 4.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.43 ' C ' ' OD1' ' A' ' 33' ' ' ASN . . . -42.96 -61.76 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.457 HD11 ' HA ' ' A' ' 13' ' ' LEU . 14.3 mt -45.57 -50.66 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.1 mmm -57.85 -25.59 60.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -92.43 -23.51 19.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.515 ' ND2' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -97.94 30.87 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.26 25.62 12.01 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 8' ' ' VAL . 3.4 m120 71.32 48.38 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.882 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 3.8 t-20 -98.16 116.45 30.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 15' ' ' HIS . 48.6 tp -56.08 -50.95 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.8 mt-10 -73.18 -68.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.882 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -37.86 -43.56 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -40.3 -67.99 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.752 HD11 ' SD ' ' A' ' 19' ' ' MET . 6.7 mt -48.25 -57.62 5.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.514 ' O ' HG22 ' A' ' 46' ' ' THR . 9.8 m-80 -34.66 -56.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.515 HG21 ' ND2' ' A' ' 33' ' ' ASN . 79.7 t -58.8 -44.69 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 41' ' ' LEU . 17.2 mt -62.04 -31.72 72.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 48' ' ' ASN . 18.2 mt -83.24 -68.01 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 42' ' ' ASN . 11.2 t -37.75 -37.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.9 m -96.93 43.89 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.4 p-10 -131.82 177.58 7.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -82.49 146.07 29.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -46.47 125.0 6.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -113.68 144.13 30.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.55 0.69 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 109.35 2.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.8 p -113.77 147.17 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.2 ttm -133.47 56.5 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -144.85 146.73 17.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 148.41 64.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 128.89 16.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.0 m -111.87 168.82 9.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -97.62 170.56 25.56 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -178.18 2.25 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.663 2.242 . . . . 0.0 112.298 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.5 m -124.41 95.71 4.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.7 m -117.77 -58.87 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p -118.38 42.01 2.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -45.97 120.83 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.15 47.0 1.06 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.8 t -132.01 133.32 44.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' SER . 88.5 p 36.38 50.51 0.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.16 53.93 3.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.474 HG11 ' HG3' ' A' ' 27' ' ' ARG . 6.3 p -133.8 146.57 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.473 ' N ' HD22 ' A' ' 35' ' ' ASN . 37.7 t70 -94.02 95.94 9.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.96 -52.32 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -45.04 -44.69 10.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.91 -34.14 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.41 -61.77 2.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -46.12 -60.2 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -39.11 -36.18 0.29 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' THR . 38.7 mt -79.82 -62.59 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' ILE . 66.7 p -36.36 -35.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -54.46 -48.76 71.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 25.6 mtt -56.6 -18.99 13.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.04 57.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -129.65 130.56 45.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 t -47.52 119.02 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt -39.75 -42.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -65.39 -46.23 80.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.55 -47.03 85.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -68.08 -49.74 59.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.474 ' HG3' HG11 ' A' ' 8' ' ' VAL . 41.2 ttt180 -47.2 -62.07 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' ALA . 4.4 tp60 -51.62 -63.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . -35.78 -55.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' ASN . 10.6 mt -50.44 -49.92 53.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.0 mtt -59.29 -39.2 82.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.89 -37.55 76.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 61.0 m-80 -94.04 23.9 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.03 65.24 3.71 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.473 HD22 ' N ' ' A' ' 9' ' ' ASP . 5.6 m120 42.95 40.33 2.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.789 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 16.7 m-20 -84.14 109.18 17.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.5 tp -54.89 -53.47 54.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.501 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 2.9 mt-10 -73.14 -67.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.789 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.45 -31.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -55.06 -56.22 22.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.071 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.2 mt -64.06 -54.69 30.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 10.1 m-80 -39.8 -52.15 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.42 -41.28 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 41' ' ' LEU . 14.8 mt -64.56 -34.03 77.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 mt -75.97 -47.07 26.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.2 p -47.2 -44.85 22.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 t -120.07 80.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -132.47 176.42 8.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -110.66 29.98 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -139.01 177.7 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 39.4 ttmt -66.92 139.46 95.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.2 Cg_endo -69.82 148.09 63.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.9 p -120.23 135.56 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.06 132.58 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -148.28 171.84 28.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.47 69.04 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 136.19 32.37 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 m -83.3 130.26 35.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.94 149.33 17.56 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 95.9 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.694 2.263 . . . . 0.0 112.348 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.2 m -157.66 141.95 16.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.4 t -152.75 121.6 6.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m -90.47 -43.24 10.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.376 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.5 t -93.23 145.99 24.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.826 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.17 85.77 0.13 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -59.59 117.46 4.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -149.37 138.6 21.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.39 37.07 3.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.757 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.1 p -133.31 137.37 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 111.108 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -85.77 100.79 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -41.85 -52.34 4.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -43.98 -45.48 7.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.07 -35.65 64.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.506 HD12 ' HB2' ' A' ' 26' ' ' SER . 3.3 tp -62.21 -56.64 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -54.46 -47.55 72.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.462 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 53.4 t60 -51.91 -34.65 42.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.3 mt -79.42 -55.16 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p -42.92 -40.15 2.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.01 -44.2 60.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.792 ' SD ' HD11 ' A' ' 41' ' ' LEU . 6.0 mtt -58.39 -26.69 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.42 59.31 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.56 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 35.9 m-85 -127.98 163.69 23.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -80.92 124.32 29.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -37.91 -47.28 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 17.9 pt-20 -65.3 -48.27 73.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.457 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -55.67 -48.06 75.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.506 ' HB2' HD12 ' A' ' 13' ' ' LEU . 14.4 m -67.02 -51.67 51.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.802 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.757 ' HG3' HG11 ' A' ' 8' ' ' VAL . 65.9 ttt180 -52.81 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -50.61 -49.11 57.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.66 -63.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -45.5 -50.13 13.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.42 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 22.4 mtp -55.82 -31.21 62.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -81.6 -24.22 36.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.742 HD21 HG21 ' A' ' 43' ' ' VAL . 10.1 m-80 -106.33 28.49 7.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.56 52.29 46.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 50.25 42.33 25.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.918 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.679 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 47.6 m-20 -88.43 109.27 19.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.401 HD11 ' CD2' ' A' ' 15' ' ' HIS . 57.1 tp -50.78 -56.44 12.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.6 mt-10 -69.07 -67.95 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.679 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.73 -43.4 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -41.71 -65.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.792 HD11 ' SD ' ' A' ' 19' ' ' MET . 11.0 mt -50.5 -57.36 8.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 7.9 m-80 -34.63 -50.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.742 HG21 HD21 ' A' ' 33' ' ' ASN . 96.6 t -64.73 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 41' ' ' LEU . 8.3 mt -66.92 -29.44 69.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.6 mt -79.87 -60.78 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -41.73 -36.02 0.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.6 m -104.76 61.82 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -146.75 146.01 30.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -39.94 115.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -157.56 161.85 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 18.5 tttt -66.5 140.68 96.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.525 0.678 . . . . 0.0 110.886 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.8 Cg_endo -69.76 113.52 3.4 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.333 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.534 HG13 ' HD2' ' A' ' 56' ' ' PRO . 9.4 p -81.81 141.34 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 64.8 mmm -64.99 93.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 168.74 -95.67 0.11 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.443 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.534 ' HD2' HG13 ' A' ' 53' ' ' VAL . 53.8 Cg_endo -69.71 148.59 65.7 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.734 2.289 . . . . 0.0 112.309 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -34.66 14.21 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.304 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.0 t -170.49 177.6 3.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -130.73 59.31 0.69 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 174.65 9.21 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.737 2.291 . . . . 0.0 112.326 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.6 m -139.07 137.27 36.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 71.0 p -85.15 42.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 p -147.86 153.94 39.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.88 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -135.66 176.78 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.91 130.9 5.51 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -145.69 130.75 18.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -112.7 119.42 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.47 58.15 0.55 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.553 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.4 p -135.35 149.17 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -95.15 96.33 9.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -40.09 -55.61 2.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 2.2 mppt? -46.45 -44.46 17.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.54 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.408 ' HA ' HD11 ' A' ' 30' ' ' LEU . 3.8 tp -60.23 -56.14 25.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.8 -58.46 3.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -39.31 -41.59 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.4 mt -74.03 -62.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.181 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -40.42 -40.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -49.76 -43.84 48.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 36.5 mtt -57.04 -30.74 64.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.94 47.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 47.4 m-85 -118.33 140.32 50.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.4 m -55.9 120.3 7.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -39.39 -46.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.5 -44.69 90.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.1 -48.09 81.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -68.8 -59.92 2.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.818 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.553 ' HG3' HG11 ' A' ' 8' ' ' VAL . 42.0 ttm180 -40.19 -59.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -54.82 -46.08 74.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.03 -65.44 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' A' ' 13' ' ' LEU . 9.9 mt -41.94 -52.08 4.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 35.9 mtp -49.72 -43.37 47.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -68.54 -37.96 80.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' OD1' HG21 ' A' ' 43' ' ' VAL . 20.2 m-80 -91.82 30.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.2 54.46 12.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 52.0 47.78 24.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.858 0.361 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.819 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 19.3 m-20 -90.84 103.23 15.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.1 tp -45.78 -57.22 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 7.1 mt-10 -72.2 -67.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.819 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.88 -38.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -46.35 -67.84 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.806 ' HA ' HD12 ' A' ' 44' ' ' LEU . 6.4 mt -49.05 -57.03 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 13.3 m-80 -34.5 -57.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.439 HG21 ' OD1' ' A' ' 33' ' ' ASN . 95.5 t -53.71 -42.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' A' ' 41' ' ' LEU . 8.0 mt -67.79 -35.81 79.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.83 -60.03 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 t -50.96 -39.42 55.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.5 m -131.89 83.69 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.2 p-10 -99.23 153.67 18.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -154.05 127.99 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -66.86 125.07 24.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -115.29 148.72 41.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.551 0.691 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 116.31 4.5 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -76.37 121.42 28.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 17.0 mtt -147.56 131.43 17.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.11 146.24 14.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 148.67 65.18 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.336 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 137.58 35.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.324 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.3 m -97.76 -50.61 4.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.05 146.21 4.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.439 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 161.95 43.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 t -89.83 112.16 23.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.2 m -117.78 169.06 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -54.25 158.84 2.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.902 0.382 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -61.05 137.28 58.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.06 -175.23 0.22 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -160.23 120.28 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m -74.01 -38.37 64.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' ND2' ' A' ' 35' ' ' ASN . . . 128.24 -23.21 5.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.505 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.619 HG11 ' HG3' ' A' ' 27' ' ' ARG . 5.8 p -103.64 136.77 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.351 . . . . 0.0 111.144 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -79.75 95.81 6.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -41.27 -47.51 3.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -48.58 -44.19 36.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.98 -32.31 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.52 -58.17 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -44.83 -55.88 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -44.64 -41.6 6.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' THR . 75.7 mt -73.98 -61.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ILE . 41.2 p -36.91 -34.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -53.86 -47.79 70.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.8 mtt -56.42 -28.29 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.11 49.47 0.45 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -118.06 126.14 51.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.7 m -43.98 122.29 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -41.51 -33.58 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -72.3 -48.61 40.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.28 -49.78 68.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 p -67.17 -60.78 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.619 ' HG3' HG11 ' A' ' 8' ' ' VAL . 11.8 ttt85 -38.85 -56.84 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -57.21 -61.75 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.44 -57.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -47.3 -52.3 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 17.3 mtp -57.7 -27.38 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.88 -43.33 20.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.549 HD21 HG21 ' A' ' 43' ' ' VAL . 51.1 m-80 -80.63 -7.37 59.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.83 56.16 2.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 7' ' ' GLY . 3.0 m120 56.08 33.16 21.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.821 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 3.2 t-20 -88.28 108.18 19.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 tp -56.89 -50.75 71.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 3.3 mt-10 -67.97 -68.19 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.821 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -38.69 -41.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.83 -62.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.615 ' HA ' HD12 ' A' ' 44' ' ' LEU . 9.9 mt -53.45 -58.14 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 7.4 m-80 -34.38 -54.12 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 33' ' ' ASN . 69.3 t -60.89 -49.55 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.615 HD12 ' HA ' ' A' ' 41' ' ' LEU . 17.4 mt -56.14 -35.16 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' THR . 13.2 mt -77.19 -60.68 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' LEU . 19.1 p -34.24 -40.18 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 m -80.38 -57.09 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -75.67 101.64 5.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.18 150.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -149.39 146.15 27.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.464 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 4.3 ttpm? -76.34 139.67 68.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.546 0.689 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.9 Cg_endo -69.74 130.07 18.73 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.311 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.9 p -83.86 141.75 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.7 mtt -141.7 146.64 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -120.77 168.81 14.06 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 149.14 66.36 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.629 2.219 . . . . 0.0 112.342 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -179.64 3.06 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.646 2.231 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.4 p -131.43 36.13 3.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.86 60.01 9.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.556 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.09 25.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 0.0 112.393 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.7 m -55.15 125.85 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.2 t -57.6 109.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -71.08 -50.05 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 110.805 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 t -68.89 127.25 32.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -111.14 -148.87 11.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 4' ' ' GLY . 24.2 t -36.5 119.4 0.62 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.5 p -138.47 119.15 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.82 68.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.593 HG11 ' HG3' ' A' ' 27' ' ' ARG . 14.8 p -128.33 146.61 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' ALA . 17.3 t70 -94.22 94.1 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' ASP . 23.5 mm-40 -36.58 -53.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -48.57 -41.46 30.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -78.67 -27.5 45.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tp -70.91 -60.43 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.02 -48.72 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -53.77 -42.56 68.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.545 HD12 HD11 ' A' ' 30' ' ' LEU . 94.1 mt -67.5 -49.93 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.3 p -51.24 -30.04 16.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -54.85 -26.71 37.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.0 mtt -90.78 20.76 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.58 68.49 1.64 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.462 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.541 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 14.6 m-85 -135.28 109.3 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' PHE . 2.0 m -34.57 127.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.9 -45.73 20.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 7.0 pt-20 -63.4 -38.47 91.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.453 ' N ' ' HG3' ' A' ' 24' ' ' GLU . . . -65.45 -51.84 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.7 t -65.89 -52.92 45.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.593 ' HG3' HG11 ' A' ' 8' ' ' VAL . 38.3 ttm180 -42.74 -67.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 29' ' ' ALA . 26.7 tp60 -44.57 -65.27 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . -35.52 -65.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.545 HD11 HD12 ' A' ' 16' ' ' ILE . 8.4 mt -43.47 -47.59 7.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 33.2 mtp -61.52 -38.69 88.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.53 -34.3 69.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.518 HD21 HG21 ' A' ' 43' ' ' VAL . 2.3 m-80 -97.91 28.25 4.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.01 70.95 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' ND2' ' HA ' ' A' ' 8' ' ' VAL . 7.2 m120 39.44 52.84 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.96 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 24.4 m-20 -96.4 104.27 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.7 tp -52.55 -62.4 1.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.501 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 1.4 mp0 -68.04 -68.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.96 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -36.61 -40.67 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -45.56 -66.31 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.724 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.2 mt -48.87 -54.86 13.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 9.4 m-80 -36.34 -57.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.518 HG21 HD21 ' A' ' 33' ' ' ASN . 84.3 t -55.83 -40.2 60.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 41' ' ' LEU . 11.1 mt -67.89 -34.46 76.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.3 mt -76.13 -64.32 1.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 47' ' ' SER . 13.9 t -39.38 -42.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.453 ' N ' HG23 ' A' ' 46' ' ' THR . 5.6 t -69.68 -62.94 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -47.16 -57.38 5.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -55.39 151.1 10.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -45.72 151.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' CD ' ' HD2' ' A' ' 52' ' ' PRO . 11.2 tptm -78.25 139.07 60.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.468 ' HD2' ' CD ' ' A' ' 51' ' ' LYS . 53.5 Cg_endo -69.79 -174.8 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.322 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.4 m -111.89 139.5 36.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 25.2 mtm -52.56 124.76 14.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.09 -95.62 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 157.28 60.88 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.343 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 155.17 66.78 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.1 t -161.79 142.81 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.77 146.99 18.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.451 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -37.7 8.74 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.6 m -38.28 106.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.6 t -51.77 141.36 17.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t 56.55 43.03 26.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 110.88 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 m 48.7 39.46 13.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.801 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.03 -154.49 7.71 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p 43.04 38.01 1.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -107.78 102.94 12.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.31 58.88 0.39 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.464 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.497 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.5 p -132.96 152.06 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.81 0.338 . . . . 0.0 111.126 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLU . 23.7 t0 -100.59 95.84 6.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 13' ' ' LEU . 1.8 mp0 -34.99 -56.21 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -41.79 -44.86 3.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASP . . . -75.56 -28.69 59.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 10' ' ' GLU . 7.4 tp -69.97 -61.49 1.76 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -43.57 -57.92 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -39.88 -42.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.2 mt -74.42 -57.38 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.6 p -41.72 -34.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -59.01 -43.53 91.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.634 ' SD ' HD11 ' A' ' 41' ' ' LEU . 3.0 mtt -59.88 -23.83 63.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.846 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 116.41 53.1 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.535 ' CE2' HD23 ' A' ' 41' ' ' LEU . 25.1 m-85 -126.21 132.69 51.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -45.74 128.79 8.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -51.88 -16.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -97.65 -43.28 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.58 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -74.48 -48.23 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.497 ' HG3' HG11 ' A' ' 8' ' ' VAL . 48.5 ttp85 -49.72 -57.95 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.5 tp60 -56.94 -47.27 81.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.47 -61.41 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 mt -43.22 -52.57 5.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.7 mtp -51.49 -31.63 24.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -80.8 -28.24 36.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -95.44 7.63 45.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.78 38.19 66.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 m120 71.62 32.8 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.903 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.769 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 6.0 t-20 -81.66 117.84 22.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.3 tp -63.03 -52.15 63.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.9 mt-10 -70.41 -67.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.769 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -38.18 -38.7 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -45.61 -64.26 0.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.715 ' HA ' HD12 ' A' ' 44' ' ' LEU . 10.1 mt -52.15 -59.1 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.7 m-80 -35.3 -59.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.9 t -52.39 -36.94 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.0 mt -72.98 -36.59 67.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.37 -63.61 1.29 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 42' ' ' ASN . 12.9 t -40.68 -42.85 1.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.466 ' N ' HG23 ' A' ' 46' ' ' THR . 78.1 p -72.33 -45.7 58.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -104.36 86.75 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -48.65 132.96 17.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.437 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 4.7 pp0? -122.78 132.16 54.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.477 ' CD ' ' HD2' ' A' ' 52' ' ' PRO . 3.7 tppp? -85.36 139.15 36.1 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.719 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.477 ' HD2' ' CD ' ' A' ' 51' ' ' LYS . 53.7 Cg_endo -69.82 179.13 3.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 53' ' ' VAL . 27.3 m -78.47 120.42 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 7.5 ttm -56.64 127.9 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.46 -95.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.62 67.37 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.353 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -178.31 2.3 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -156.83 123.59 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -169.21 -63.9 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.6 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 2.259 . . . . 0.0 112.303 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.2 t -80.91 86.37 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.0 t -154.26 168.23 27.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -120.9 160.69 22.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.865 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t 67.0 42.44 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.47 -113.02 0.53 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -54.09 153.38 5.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.92 0.39 . . . . 0.0 110.832 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -116.57 155.49 28.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.8 31.13 7.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.662 HG11 ' HG2' ' A' ' 27' ' ' ARG . 7.1 p -124.55 149.84 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.361 . . . . 0.0 111.181 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -94.97 93.87 7.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -41.43 -43.18 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -52.57 -42.71 64.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.94 -39.15 24.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.771 HD21 ' HD2' ' A' ' 23' ' ' LYS . 7.6 tp -57.44 -50.2 73.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.5 tttt -53.19 -49.46 66.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -49.11 -44.09 41.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 17' ' ' THR . 54.6 mt -70.1 -60.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 16' ' ' ILE . 34.3 p -35.48 -37.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -52.19 -48.68 64.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.5 mtt -56.74 -24.31 48.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.74 65.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 36.2 m-85 -134.33 133.76 41.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 25' ' ' ALA . 1.1 t -52.07 121.66 7.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.771 ' HD2' HD21 ' A' ' 13' ' ' LEU . 10.9 tppt? -34.32 -39.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 25' ' ' ALA . 12.6 pt-20 -71.5 -47.29 56.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 22' ' ' SER . . . -54.58 -50.93 66.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.089 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.6 m -69.67 -59.49 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.662 ' HG2' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -47.05 -66.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -43.29 -55.0 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -48.45 -54.18 15.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 35' ' ' ASN . 7.4 mt -50.04 -52.08 37.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.456 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 15.1 mtm -56.92 -33.88 67.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -41.23 62.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.734 HD21 HG21 ' A' ' 43' ' ' VAL . 39.8 m-80 -86.4 -0.23 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.11 60.34 2.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.8 m120 47.64 30.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.877 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 0.1 OUTLIER -82.02 102.62 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 tp -50.85 -52.85 37.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 9.8 mt-10 -65.23 -68.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.877 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -38.98 -43.96 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.33 -66.51 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.62 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.7 mt -49.85 -57.94 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.2 m-80 -34.05 -49.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.734 HG21 HD21 ' A' ' 33' ' ' ASN . 87.9 t -64.33 -43.98 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 41' ' ' LEU . 10.0 mt -62.14 -38.15 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.7 mt -75.26 -57.02 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 p -44.66 -49.64 10.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 t -57.68 -56.2 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -62.18 157.98 18.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -90.08 27.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -65.01 164.06 13.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 37.7 tttt -62.55 142.27 96.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 54.1 Cg_endo -69.77 148.14 64.35 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.6 p -121.96 140.36 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.4 tpp -101.46 130.64 47.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -129.55 146.25 17.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.57 66.94 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 120.29 7.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.664 2.243 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.0 p -105.64 168.72 8.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.35 -158.64 16.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 103.58 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.249 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 m -70.46 -47.61 59.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -125.27 174.63 7.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m 63.25 42.03 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.355 . . . . 0.0 110.872 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -63.93 126.98 29.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.46 174.25 29.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.49 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -48.42 -49.69 34.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -113.11 173.23 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.67 24.04 8.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.8 HG11 ' HG3' ' A' ' 27' ' ' ARG . 7.7 p -120.99 150.55 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.131 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -91.4 94.89 9.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -37.97 -50.5 1.32 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -47.56 -44.65 26.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.29 -35.54 55.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.584 HD12 ' HB2' ' A' ' 26' ' ' SER . 8.1 tp -62.18 -59.85 4.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -42.85 -57.33 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.478 ' CD2' HD11 ' A' ' 37' ' ' LEU . 86.4 t60 -40.23 -38.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLU . 43.9 mt -77.21 -60.87 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 p -39.71 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 16' ' ' ILE . 5.3 mm-40 -64.78 -45.7 85.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.699 ' CE ' HD11 ' A' ' 41' ' ' LEU . 25.6 mtm -63.99 -19.8 65.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.48 72.09 0.71 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 22' ' ' SER . 34.2 m-85 -141.51 118.44 11.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 21' ' ' PHE . 3.0 t -34.45 112.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -38.29 -34.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -72.5 -49.72 30.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.83 -52.01 64.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.584 ' HB2' HD12 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -59.29 -60.71 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.8 ' HG3' HG11 ' A' ' 8' ' ' VAL . 46.9 ttt180 -36.24 -63.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -52.12 -54.04 35.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -41.08 -65.14 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 36' ' ' ASN . 6.5 mt -45.78 -51.86 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.434 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 15.9 mtm -55.45 -32.73 63.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -74.05 -36.12 64.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.629 HD21 HG21 ' A' ' 43' ' ' VAL . 2.5 m-80 -90.14 -6.85 54.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.16 52.92 2.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.9 m120 60.75 27.78 17.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.688 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . 58.7 m-20 -77.66 108.64 11.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.478 HD11 ' CD2' ' A' ' 15' ' ' HIS . 41.3 tp -57.13 -58.82 6.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -66.41 -67.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.688 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -37.05 -42.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -42.98 -63.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.699 HD11 ' CE ' ' A' ' 19' ' ' MET . 5.8 mt -52.96 -58.09 8.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 7.2 m-80 -34.47 -51.39 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.629 HG21 HD21 ' A' ' 33' ' ' ASN . 97.3 t -60.58 -48.72 87.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' ' 41' ' ' LEU . 6.0 mt -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 47' ' ' SER . 24.8 mt -84.53 -68.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' LEU . 14.5 t -36.87 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 45' ' ' LEU . 4.4 t -84.27 -47.13 11.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.0 m-20 -78.4 78.88 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.48 149.52 31.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -44.29 129.81 6.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -121.59 144.41 40.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.709 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -178.55 2.4 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.507 HG13 ' O ' ' A' ' 53' ' ' VAL . 8.7 p -74.09 118.58 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.8 mmt -150.8 153.41 35.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.74 -158.58 2.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.99 67.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.321 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.16 19.56 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.312 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.9 p -64.48 -176.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.24 -158.82 48.21 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.87 67.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.288 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 m -158.41 152.8 24.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.3 p -95.16 113.32 24.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 t -65.11 148.77 51.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.854 0.359 . . . . 0.0 110.93 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 m -90.2 -58.32 2.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.85 -176.15 28.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -47.15 -57.99 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 p -83.84 152.98 24.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' C ' ' SD ' ' A' ' 31' ' ' MET . . . -101.92 51.65 0.9 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.6 p -129.02 142.96 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 111.148 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -84.86 96.08 9.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -40.74 -49.93 3.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -47.76 -45.0 28.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 37' ' ' LEU . . . -76.98 -30.27 55.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 27' ' ' ARG . 8.7 tp -69.09 -63.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' HIS . 24.1 ttpt -49.54 -56.11 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' LYS . 28.0 t60 -37.09 -42.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' A' ' 18' ' ' GLU . 80.4 mt -71.71 -58.01 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ILE . 25.5 p -35.39 -31.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 16' ' ' ILE . 14.9 mm-40 -54.24 -49.6 69.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.694 ' HE3' HD21 ' A' ' 41' ' ' LEU . 29.2 mtm -59.4 -20.2 53.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.9 61.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 40.5 m-85 -132.84 113.1 12.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' PHE . 63.8 m -37.31 126.89 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -46.62 -31.87 3.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -68.67 -52.79 27.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.88 86.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.074 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.444 ' HB2' HD12 ' A' ' 13' ' ' LEU . 3.2 p -69.03 -59.79 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' A' ' 13' ' ' LEU . 17.0 ttp180 -40.57 -57.82 1.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -53.22 -54.06 41.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.09 -67.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 36' ' ' ASN . 10.2 mt -44.92 -54.29 6.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.437 ' SD ' ' C ' ' A' ' 7' ' ' GLY . 30.9 mmm -49.31 -27.8 4.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -87.1 -29.88 21.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.458 ' OD1' ' HB1' ' A' ' 39' ' ' ALA . 2.6 m-80 -96.78 18.04 15.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.409 ' C ' ' OD1' ' A' ' 35' ' ' ASN . . . 59.66 40.59 96.68 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 34' ' ' GLY . 1.3 m120 72.6 45.28 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.612 ' O ' ' HB2' ' A' ' 40' ' ' ALA . 17.8 t-20 -92.56 113.15 25.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 12' ' ' ALA . 55.2 tp -63.75 -49.46 72.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 4.1 mt-10 -70.72 -68.4 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.513 ' HB3' ' HB3' ' A' ' 36' ' ' ASN . . . -40.71 -37.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -44.5 -66.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.694 HD21 ' HE3' ' A' ' 19' ' ' MET . 7.2 mt -50.38 -56.53 10.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.774 ' O ' HG23 ' A' ' 46' ' ' THR . 9.0 m-80 -33.54 -48.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.5 t -66.43 -50.72 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 7.5 mt -59.32 -25.77 64.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.3 mt -88.72 -38.93 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 42' ' ' ASN . 55.5 p -67.71 -43.38 80.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.6 p -59.95 -55.21 36.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.474 ' ND2' ' H ' ' A' ' 49' ' ' LYS . 7.5 t30 -52.33 -175.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.474 ' H ' ' ND2' ' A' ' 48' ' ' ASN . 4.3 pttp -93.65 28.51 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.73 157.34 33.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -66.02 143.89 98.59 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 134.17 27.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.387 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 m -110.38 147.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 27.3 ptm -92.77 130.27 38.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.68 146.37 14.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 159.72 52.33 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 92.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.353 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 43.6 p -138.55 154.16 48.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.29 81.46 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.13 47.3 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.5 p -137.18 166.22 24.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 93.0 p -113.66 141.89 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -114.89 -54.5 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.901 0.381 . . . . 0.0 110.892 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t -69.73 -58.65 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.86 165.95 22.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.1 p -122.12 85.85 2.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.909 0.385 . . . . 0.0 110.806 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 p -90.03 -44.88 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.834 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.54 -39.15 1.78 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.525 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.821 HG11 ' HG3' ' A' ' 27' ' ' ARG . 4.7 p -97.92 146.28 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.38 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 10.3 t70 -83.5 100.89 11.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -46.8 -55.34 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -48.59 -43.41 35.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . . . -75.59 -25.56 57.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 26' ' ' SER . 6.1 tp -72.66 -66.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -44.66 -44.27 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.432 ' CD2' HD11 ' A' ' 37' ' ' LEU . 35.0 t60 -51.48 -36.69 45.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.2 mt -80.3 -57.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.7 p -40.41 -31.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.62 -45.46 73.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.3 mtt -58.66 -27.99 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.58 43.68 0.45 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.539 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 56.4 m-85 -111.54 143.6 42.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.382 . . . . 0.0 110.876 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -61.8 130.24 44.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -53.01 -38.48 62.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -67.79 -38.29 83.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.16 -48.74 50.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.621 ' HB3' HD12 ' A' ' 13' ' ' LEU . 3.2 m -66.6 -47.04 73.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.821 ' HG3' HG11 ' A' ' 8' ' ' VAL . 20.1 ttm180 -50.51 -54.2 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -66.18 -55.42 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -40.0 -57.58 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' CB ' HG23 ' A' ' 8' ' ' VAL . 9.2 mt -47.95 -52.02 21.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.442 ' CG ' ' HB ' ' A' ' 8' ' ' VAL . 13.2 mtm -57.45 -35.32 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.58 -44.04 75.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -82.19 -12.97 57.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.81 58.98 1.65 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 m120 54.61 37.38 27.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.734 ' CB ' ' HB3' ' A' ' 39' ' ' ALA . 3.1 m-20 -88.1 101.83 14.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD11 ' CD2' ' A' ' 15' ' ' HIS . 57.8 tp -50.63 -55.84 14.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.497 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 5.6 mt-10 -71.21 -67.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.734 ' HB3' ' CB ' ' A' ' 36' ' ' ASN . . . -36.69 -39.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 36' ' ' ASN . . . -46.9 -63.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.557 ' HA ' HD12 ' A' ' 44' ' ' LEU . 7.5 mt -52.61 -56.8 12.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 38' ' ' GLU . 8.6 m-80 -34.39 -64.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.3 t -46.69 -51.67 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' A' ' 41' ' ' LEU . 7.0 mt -60.49 -33.09 72.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.33 -59.76 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -55.31 -37.56 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.1 p -89.16 33.97 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -144.96 128.55 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.02 150.19 39.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.5 137.47 49.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 52' ' ' PRO . 35.5 tttp -77.61 139.44 63.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 110.929 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 51' ' ' LYS . 53.6 Cg_endo -69.75 148.03 64.2 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 m -107.16 106.43 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 26.3 ttm -80.66 43.68 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -115.14 -161.31 13.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.468 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.16 66.36 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.641 2.227 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 162.91 40.24 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.732 2.288 . . . . 0.0 112.339 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 86.0 p -75.39 109.54 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.6 83.39 1.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -19.76 35.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 62' ' ' SER . 23.3 p -95.35 142.64 27.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' SER . 11.3 t -36.77 132.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 180.0 . . . . . . . . 0 0 . 1 stop_ save_