data_2crg_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 2crg _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 ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.88 0.372 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.23 -53.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -57.82 -46.38 84.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.28 -48.21 81.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.65 -56.11 17.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.0 m -53.92 -44.29 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.02 -47.86 61.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ALA . 67.3 t80 -59.34 -62.49 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -40.47 -60.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.36 -28.05 64.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -65.04 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD11 ' C ' ' A' ' 27' ' ' GLY . 9.8 tp -70.83 -51.78 24.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.46 -33.86 70.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -82.63 -63.52 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.22 -66.09 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' HD11 ' A' ' 23' ' ' LEU . . . 120.87 -147.36 17.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -75.78 48.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.69 69.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CE2' HD12 ' A' ' 47' ' ' ILE . 2.2 m-85 -46.53 -33.31 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.89 -60.52 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -48.82 -40.19 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -70.51 -67.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 48.3 ttt180 -47.25 -21.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -67.44 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.62 -60.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.3 m-85 -36.3 -62.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -134.97 93.16 17.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.631 0.729 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -45.31 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.367 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.2 p90 -62.87 -48.01 80.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 34.4 mmtt -53.89 156.31 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -92.7 167.83 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -64.13 -61.26 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 47' ' ' ILE . 2.2 m -66.42 -48.78 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.9 m -39.87 -42.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.45 -36.15 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.563 HD12 ' CE2' ' A' ' 30' ' ' PHE . 58.2 mt -63.83 -52.75 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' ILE . 22.2 mt-10 -34.46 -55.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 50' ' ' TYR . 11.7 t80 -48.06 -51.48 24.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' TYR . 92.0 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.875 0.369 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.1 -62.4 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -38.74 -51.33 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.41 -58.92 4.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -37.23 -54.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.86 -55.56 31.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 10.0 mt -42.03 -46.04 4.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 47.2 t80 -59.82 -56.81 17.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -43.43 -54.47 4.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 11.4 pt-20 -64.12 -40.74 96.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 37' ' ' PHE . . . -51.76 -58.9 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -43.92 -37.87 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -83.45 -29.33 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -69.63 -63.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -96.1 -64.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.59 -163.56 25.2 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 7.2 mmmm -46.87 -20.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.777 0.322 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.36 98.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.544 ' CE2' HG12 ' A' ' 47' ' ' ILE . 4.7 m-85 -75.04 -25.55 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.77 -68.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -38.38 -48.18 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 mt -63.35 -66.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.8 ttp180 -47.61 -21.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -69.75 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' PHE . 5.0 m-20 -99.48 -62.34 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 9.7 m-85 -36.09 -63.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB3' ' CG ' ' A' ' 41' ' ' LYS . 9.3 mt -133.39 93.36 22.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.18 11.3 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.7 p90 -73.77 -44.1 57.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 24.1 mmmt -53.41 149.05 8.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -80.9 -179.4 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.801 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 43' ' ' LEU . 2.2 tm? -77.4 -57.34 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' ILE . 8.8 m -69.78 -48.33 59.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' THR . 4.6 t -37.79 -54.06 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 44.2 mt -55.63 -36.05 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.544 HG12 ' CE2' ' A' ' 30' ' ' PHE . 77.5 mt -63.02 -52.54 57.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ILE . 22.6 mt-10 -35.29 -50.43 0.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 7.9 t80 -48.3 -46.69 36.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' ILE . 55.6 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.62 -58.57 6.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.2 m -48.31 -58.09 5.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -54.64 -50.08 68.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.16 -44.79 22.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.0 t -64.31 -51.88 61.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -47.31 -41.83 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 22' ' ' ALA . 30.7 t80 -56.99 -67.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' PHE . 21.2 mt-10 -34.54 -60.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.83 -34.98 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.55 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -55.87 -46.4 78.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.44 -27.04 64.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -81.73 -30.99 32.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -84.85 -63.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -76.88 -66.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.31 -145.71 16.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.429 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -75.73 48.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -133.15 74.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 47' ' ' ILE . 3.7 m-85 -47.72 -44.7 27.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.49 -61.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.67 -56.85 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 37' ' ' PHE . 24.6 mt -52.3 -72.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 33.8 ttt-85 -45.2 -21.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' ILE . 10.6 tt0 -66.58 -64.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.0 m-20 -106.09 -56.77 2.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 9.6 m-85 -36.83 -67.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.564 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 9.2 mt -132.27 92.11 29.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.38 36.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.286 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.564 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 34.2 p90 -89.14 -42.8 11.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.493 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 17.6 mmtt -61.78 125.57 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 m -59.17 160.17 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 6.1 tp -59.91 -66.27 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' ILE . 2.2 m -57.0 -49.45 75.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' THR . 31.2 t -38.24 -48.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.2 mt -63.34 -38.13 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.568 HD12 ' CE2' ' A' ' 30' ' ' PHE . 63.0 mt -60.23 -54.67 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ILE . 27.8 mt-10 -36.33 -53.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -48.18 -44.04 32.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' ILE . 26.0 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.945 0.402 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.66 -54.99 18.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -55.93 -55.31 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.65 -43.71 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.36 -56.37 15.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.97 -47.17 78.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mt -49.04 -35.78 16.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CE2' ' CD1' ' A' ' 49' ' ' TYR . 93.2 t80 -69.41 -62.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -37.83 -50.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.79 -31.32 68.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.56 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -61.0 -31.28 70.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 tp -82.68 -24.35 33.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -86.78 -32.13 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 26' ' ' TYR . 7.4 tmtm? -84.59 -63.66 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 2.8 m-85 -78.25 -59.39 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.02 -147.61 18.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.415 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -77.3 47.13 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.798 0.333 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -125.49 71.45 1.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 47' ' ' ILE . 1.4 m-85 -51.2 -31.14 19.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -58.31 -58.03 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.516 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 6.4 t0 -52.16 -50.84 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' N ' ' A' ' 35' ' ' GLN . 63.5 mt -53.75 -71.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 42.6 ttp85 -44.47 -22.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 33' ' ' ILE . 1.1 tp-100 -65.53 -63.95 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.1 m-20 -106.14 -57.88 1.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 8.1 m-85 -34.79 -67.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.532 HD21 ' CZ2' ' A' ' 40' ' ' TRP . 8.8 mt -134.46 93.37 18.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.63 0.728 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -13.86 35.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.728 2.286 . . . . 0.0 112.394 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.532 ' CZ2' HD21 ' A' ' 38' ' ' LEU . 38.5 p90 -101.97 38.42 1.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -137.73 157.15 47.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.5 m -93.7 168.43 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -58.44 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -68.75 -49.64 57.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.9 m -37.6 -56.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.796 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 96.2 mt -55.59 -38.2 48.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 30' ' ' PHE . 81.5 mt -61.01 -53.02 54.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ILE . 40.7 mt-10 -35.24 -49.32 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.511 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 7.5 t80 -50.79 -44.43 58.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 56.0 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.936 0.398 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.85 -50.75 71.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.8 p -54.85 -46.4 74.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -51.56 52.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.52 -46.48 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.7 t -62.42 -46.15 89.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.3 -41.77 72.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -56.84 -59.42 5.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -42.65 -59.98 1.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.41 -33.4 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -57.58 -42.04 82.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.14 -40.11 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.79 -40.55 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -81.5 -63.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 7.2 m-85 -84.5 -62.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.64 -152.8 19.18 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 6.3 tmtt? -40.64 -30.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -58.45 90.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 4.2 m-85 -72.08 -36.13 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -54.56 -61.09 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 73.0 m-20 -45.1 -45.42 11.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 ' CB ' ' A' ' 37' ' ' PHE . 19.6 mt -67.31 -68.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' NE ' HD23 ' A' ' 43' ' ' LEU . 20.9 ttp180 -44.46 -23.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -66.88 -64.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' PHE . 4.3 m-20 -102.79 -60.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 11.1 m-85 -35.87 -62.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.476 HD21 ' CZ2' ' A' ' 40' ' ' TRP . 7.5 mt -135.0 93.58 17.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -49.61 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.262 . . . . 0.0 112.322 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.1 p90 -58.42 -46.7 85.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 19.7 mmtm -56.64 151.58 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -86.13 178.45 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 47' ' ' ILE . 1.2 tm? -74.62 -58.26 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.0 OUTLIER -65.54 -48.85 71.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -38.15 -54.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -59.47 -34.13 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.563 HD12 ' CE2' ' A' ' 30' ' ' PHE . 74.8 mt -64.74 -53.0 47.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' ILE . 38.7 mt-10 -34.98 -47.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -62.47 -44.74 95.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' ILE . 12.0 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.17 -47.44 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -58.2 -56.78 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' OE1' ' CD2' ' A' ' 38' ' ' LEU . 15.9 mm-40 -55.26 -41.47 72.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.76 -58.08 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.1 m -48.11 -48.73 33.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.952 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.67 -53.91 33.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 46' ' ' ILE . 36.6 t80 -46.58 -64.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -40.66 -63.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.96 -20.03 48.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' PHE . . . -76.1 -38.05 57.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.87 -38.02 64.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.62 -32.57 71.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -83.26 -63.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 2.5 m-85 -72.98 -67.07 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.67 -141.91 14.85 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -79.4 44.48 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.37 81.8 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CD2' ' CD1' ' A' ' 47' ' ' ILE . 2.8 m-85 -53.86 -36.25 62.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -60.12 -59.05 6.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 1.4 m-20 -44.67 -37.46 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.7 mt -77.03 -68.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.467 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 49.2 ttt-85 -48.18 -20.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -66.49 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -103.48 -62.08 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.9 m-85 -34.17 -63.92 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.567 HD22 ' CZ2' ' A' ' 40' ' ' TRP . 6.8 mt -134.54 94.23 17.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -36.27 11.19 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CZ2' HD22 ' A' ' 38' ' ' LEU . 42.4 p90 -70.8 -46.29 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 30.1 mmtm -50.79 153.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 m -88.9 166.88 13.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -59.16 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.3 m -68.72 -46.95 67.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.6 p -39.31 -44.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.563 HG22 ' CE1' ' A' ' 19' ' ' PHE . 21.3 mt -69.92 -37.3 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.562 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 97.1 mt -59.71 -55.69 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' ILE . 33.6 mt-10 -34.41 -57.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -41.21 -50.78 3.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.7 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.88 -56.17 1.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 t -59.46 -46.14 89.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -50.45 -52.86 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.29 -66.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' LEU . 32.5 m -41.81 -60.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' CYS . 5.8 mt -35.38 -64.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' LEU . 27.6 t80 -36.92 -62.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -44.82 -40.23 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -73.6 -42.68 61.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -52.33 -41.38 62.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 8.0 tp -68.55 -60.38 2.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -51.62 -37.17 48.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -76.6 -63.43 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.504 ' CZ ' ' OD1' ' A' ' 32' ' ' ASP . 4.2 m-85 -83.95 -62.22 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . 118.94 -142.81 17.04 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.47 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -75.89 48.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.26 76.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 47' ' ' ILE . 5.9 m-85 -58.43 -20.97 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -68.77 -61.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 6.9 t0 -52.49 -37.91 58.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.9 mt -68.56 -68.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -47.3 -21.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.416 ' OE1' ' CG ' ' A' ' 36' ' ' ASP . 1.4 tm0? -68.9 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.4 m-20 -100.03 -62.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.935 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 9.3 m-85 -35.68 -62.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 mt -135.02 93.67 16.98 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.685 0.755 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -37.04 9.67 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.625 2.216 . . . . 0.0 112.391 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.509 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 44.9 p90 -72.41 -45.11 61.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 59.8 mmtt -52.05 151.93 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 m -85.15 178.16 7.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -74.29 -57.17 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.6 m -71.81 -47.74 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -37.8 -53.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.2 mt -57.02 -34.86 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.224 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 30' ' ' PHE . 93.1 mt -66.74 -50.73 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.086 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ILE . 23.8 mt-10 -34.15 -47.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.55 -44.81 77.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 47' ' ' ILE . 50.7 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' ALA . 1.2 t . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.895 0.379 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -35.38 -60.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.6 m -43.98 -50.8 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.06 -52.9 60.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.8 -49.02 5.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 t -65.16 -45.64 84.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -48.99 -41.68 35.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 73.0 t80 -60.3 -64.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' PHE . 12.4 mt-10 -35.8 -56.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.9 pt-20 -63.7 -33.95 76.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.561 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -55.98 -49.33 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -63.25 -36.42 83.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.09 -40.78 82.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -78.65 -63.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.587 ' CE1' ' OD2' ' A' ' 32' ' ' ASP . 12.2 m-85 -87.43 -64.55 1.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 106.26 -155.68 16.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 12.9 mmmm -38.97 -26.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLY . 14.3 t0 -62.57 87.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' HG12 ' A' ' 47' ' ' ILE . 3.9 m-85 -71.82 -36.22 70.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -51.94 -57.81 8.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.587 ' OD2' ' CE1' ' A' ' 26' ' ' TYR . 7.0 t0 -49.81 -50.06 46.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.422 ' CG2' ' HB2' ' A' ' 37' ' ' PHE . 18.6 mt -60.39 -69.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.23 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 21.1 ttt180 -45.22 -22.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -69.02 -64.01 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 37' ' ' PHE . 8.9 m-20 -101.77 -60.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 11.0 m-85 -36.06 -66.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 9.3 mt -132.3 93.22 26.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -29.96 22.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.528 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 35.9 p90 -77.45 -44.97 27.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -54.66 152.08 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.488 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 31.5 m -84.12 174.5 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.744 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.44 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -71.0 -60.13 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.3 m -67.14 -48.55 67.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' THR . 85.7 p -37.77 -53.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 42' ' ' SER . 18.9 mt -57.56 -37.51 58.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.555 HG12 ' CE2' ' A' ' 30' ' ' PHE . 65.8 mt -61.62 -55.19 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 47' ' ' ILE . 36.2 mt-10 -36.2 -47.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 8.5 t80 -50.3 -44.85 54.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 47' ' ' ILE . 69.3 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.3 p . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.76 -54.3 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.4 p -54.71 -47.64 73.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -61.08 2.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.79 -63.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.52 -55.52 18.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' PHE . 8.4 mt -42.52 -62.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 41.9 t80 -36.16 -67.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -40.46 -45.62 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.95 -35.69 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.54 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -59.41 -43.08 93.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -68.06 -56.21 9.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -53.63 -37.19 62.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -77.61 -63.63 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 3.8 m-85 -79.77 -64.97 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.04 -141.62 16.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 48.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -133.95 79.06 1.8 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 47' ' ' ILE . 4.7 m-85 -55.28 -30.56 60.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -59.13 -63.02 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 76.1 m-20 -45.23 -43.58 10.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.436 HG12 ' CB ' ' A' ' 22' ' ' ALA . 38.4 mt -67.2 -71.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -45.6 -21.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 33' ' ' ILE . 44.3 tt0 -67.38 -63.56 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.5 m-20 -103.44 -61.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.54 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 7.5 m-85 -35.54 -62.58 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.522 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 7.3 mt -134.99 93.61 17.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.569 0.7 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.45 3.38 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.522 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 43.8 p90 -67.24 -44.32 79.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HG2' ' NE1' ' A' ' 40' ' ' TRP . 37.8 mmtt -49.95 159.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -92.39 174.5 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 43' ' ' LEU . 1.4 tm? -72.36 -59.59 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.3 m -68.87 -48.28 63.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.5 m -38.25 -50.8 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.48 -35.59 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 30' ' ' PHE . 84.9 mt -63.39 -45.68 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -42.43 -46.54 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 4.1 t80 -54.62 -43.1 71.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 71.1 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.942 0.401 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.51 -62.66 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.7 m -56.83 -44.84 82.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -52.56 -49.35 65.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.56 -65.26 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.8 m -46.76 -55.52 7.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -36.75 -54.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -45.57 -63.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -42.99 -40.61 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' GLU . 4.2 mm-40 -69.63 -50.33 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.02 -53.65 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD21 ' CE1' ' A' ' 50' ' ' TYR . 10.0 tp -58.06 -26.32 62.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.7 mm-40 -81.9 -42.83 18.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -76.28 -63.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -83.88 -68.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.414 ' C ' HD13 ' A' ' 23' ' ' LEU . . . 125.6 -143.24 14.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -78.46 45.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.765 0.317 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' ASN . 5.1 m-20 -121.19 56.46 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' HD12 ' A' ' 47' ' ' ILE . 5.4 m-85 -34.13 -33.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' ASP . 34.5 m-80 -61.05 -56.85 16.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -54.8 -36.67 65.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.3 mt -71.61 -69.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.462 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 32.7 ttt180 -46.49 -21.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.07 -64.24 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.94 -60.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.7 m-85 -33.34 -65.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.98 94.28 16.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.95 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.376 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.537 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.0 p90 -58.17 -49.31 77.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.537 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 15.8 mmtm -58.25 144.42 41.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -77.91 165.37 24.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD2' HD13 ' A' ' 47' ' ' ILE . 8.2 tt -66.79 -64.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -54.42 -51.14 65.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.5 m -41.48 -41.57 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.0 mt -68.43 -36.76 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.559 HD12 ' CE2' ' A' ' 30' ' ' PHE . 63.7 mt -62.84 -52.76 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ILE . 38.9 mt-10 -34.76 -59.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -43.83 -44.9 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.468 ' CE1' HD21 ' A' ' 23' ' ' LEU . 28.9 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.901 0.381 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.65 -57.72 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m -47.9 -48.52 31.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.13 -41.04 97.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.22 -51.17 14.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.05 -50.46 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' PHE . 10.0 mt -44.63 -64.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 49' ' ' TYR . 42.4 t80 -34.93 -65.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -42.21 -46.76 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.71 -46.64 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -46.92 -58.16 4.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.171 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD21 ' CE1' ' A' ' 50' ' ' TYR . 9.1 tp -54.82 -35.71 64.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -66.33 -45.49 80.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -78.68 -63.62 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 10.9 m-85 -81.91 -66.86 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 104.84 -151.2 17.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.528 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 3.3 mmtp -39.24 -26.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.708 0.29 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' GLY . 4.2 m-20 -64.27 90.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CD2' HG12 ' A' ' 47' ' ' ILE . 3.4 m-85 -72.79 -35.05 67.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -56.77 -61.06 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -45.29 -40.65 7.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 mt -69.55 -73.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 42' ' ' SER . 14.6 ttt85 -44.58 -25.7 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.8 -64.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.6 m-20 -103.01 -62.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.8 m-85 -33.18 -64.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -135.03 94.75 15.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -36.28 11.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 41' ' ' LYS . 43.5 p90 -74.66 -44.3 51.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 30.9 mmtm -50.22 152.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.42 ' HA ' ' NH1' ' A' ' 34' ' ' ARG . 1.6 m -83.76 148.95 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.41 -65.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' ILE . 22.5 m -59.32 -51.91 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' THR . 12.5 t -37.55 -52.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.3 mt -55.29 -36.92 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 30' ' ' PHE . 80.5 mt -60.69 -58.16 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ILE . 63.0 mt-10 -34.53 -61.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -35.45 -47.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.555 ' CE1' HD21 ' A' ' 23' ' ' LEU . 37.9 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.794 0.331 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.38 -60.28 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -48.83 -42.96 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.81 -50.56 66.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.24 -60.56 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.5 t -53.81 -47.6 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mt -48.4 -38.73 20.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE2' ' CD1' ' A' ' 49' ' ' TYR . 84.4 t80 -66.63 -64.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' PHE . 25.6 mt-10 -37.75 -48.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.5 pt-20 -70.53 -33.22 70.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.569 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -58.97 -37.43 76.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.18 -33.7 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.93 -24.79 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -63.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 10.9 m-85 -89.63 -62.7 1.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.29 -147.31 16.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -76.88 49.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' PHE . 7.6 t0 -126.96 60.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' HD12 ' A' ' 47' ' ' ILE . 1.6 m-85 -34.69 -38.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -54.96 -66.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -43.81 -37.83 2.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.468 HG21 ' CB ' ' A' ' 37' ' ' PHE . 17.2 mt -73.46 -72.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 39.1 ttt-85 -41.32 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' ILE . 56.8 tt0 -64.94 -64.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' PHE . 4.9 m-20 -102.55 -61.78 1.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 8.5 m-85 -34.03 -63.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.486 HD22 ' CZ2' ' A' ' 40' ' ' TRP . 8.0 mt -135.06 94.32 16.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -44.69 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.65 2.233 . . . . 0.0 112.452 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.486 ' CZ2' HD22 ' A' ' 38' ' ' LEU . 41.4 p90 -62.32 -48.51 79.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.485 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 33.4 mmtt -53.73 155.1 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -91.61 161.63 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 9.8 tp -61.29 -64.86 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 47' ' ' ILE . 1.2 m -60.06 -45.3 93.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.5 p -44.47 -45.21 9.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.81 -33.03 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.547 HD12 ' CE2' ' A' ' 30' ' ' PHE . 68.1 mt -63.39 -58.65 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ILE . 26.7 mt-10 -34.45 -49.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 11.8 t80 -48.69 -48.25 40.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' ILE . 53.4 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.03 -53.45 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.1 p -53.49 -47.47 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.496 ' OE1' ' CD2' ' A' ' 38' ' ' LEU . 44.3 mm-40 -58.95 -43.99 91.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.66 -55.92 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 m -50.21 -50.94 47.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mt -48.47 -41.48 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 22' ' ' ALA . 41.0 t80 -58.33 -63.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -38.46 -59.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.19 -32.23 72.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -58.76 -25.61 63.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.416 HD11 ' C ' ' A' ' 27' ' ' GLY . 10.0 tp -84.9 -47.32 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.52 -36.28 80.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -80.78 -63.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 3.4 m-85 -84.81 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 108.47 -161.17 13.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -37.35 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 27' ' ' GLY . 8.0 t0 -57.26 93.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 47' ' ' ILE . 5.9 m-85 -74.72 -36.42 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -57.07 -61.88 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.465 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -42.45 -48.67 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.451 HG22 ' CB ' ' A' ' 37' ' ' PHE . 19.1 mt -63.96 -72.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 37.4 ttt180 -42.61 -24.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ILE . 12.7 tt0 -64.15 -64.26 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.8 m-20 -103.1 -61.38 1.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 12.9 m-85 -33.24 -67.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.496 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 8.8 mt -132.86 94.52 20.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -41.58 4.25 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.371 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.559 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 41.2 p90 -67.68 -46.14 73.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 30.5 mmtm -54.96 139.02 42.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -70.11 164.58 23.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 9.3 tp -69.38 -64.79 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -59.7 -47.51 85.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 t -41.43 -42.94 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mt -71.79 -30.41 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 30' ' ' PHE . 75.5 mt -64.02 -56.86 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -43.7 -35.19 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -64.89 -36.74 85.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.938 0.399 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.24 -54.15 40.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.1 m -48.2 -63.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -54.15 -42.7 69.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.67 -52.33 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.5 m -60.44 -54.15 48.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -39.42 -53.52 2.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 69.5 t80 -46.32 -59.1 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.812 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.12 -43.61 20.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.26 -47.65 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -47.16 -60.3 2.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 tp -41.17 -39.72 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -43.99 65.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -74.08 -63.78 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.954 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -89.72 -68.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 119.92 -167.62 13.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.512 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 9.7 tmtt? -35.99 -31.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLY . 3.0 m-20 -61.79 89.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 47' ' ' ILE . 5.5 m-85 -74.16 -33.04 63.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -44.64 -53.26 7.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -65.1 -31.27 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.6 mt -71.24 -66.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 42' ' ' SER . 27.2 ttp180 -48.15 -20.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.5 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.3 m-20 -102.4 -62.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' ASP . 7.8 m-85 -34.89 -62.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.531 HD22 ' CZ2' ' A' ' 40' ' ' TRP . 6.9 mt -134.96 94.08 16.67 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.642 0.734 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.94 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.391 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.8 p90 -58.21 -46.77 85.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 23.1 mmtm -52.26 154.52 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.422 ' C ' ' HD3' ' A' ' 34' ' ' ARG . 1.8 m -92.26 -179.34 5.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -72.63 -57.31 4.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.1 m -76.27 -39.83 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.2 t -43.84 -36.76 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.1 mt -80.53 -26.26 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 30' ' ' PHE . 65.8 mt -62.83 -52.37 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -45.24 -48.81 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 21.5 t80 -51.25 -47.53 62.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.872 0.368 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.48 57.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -45.52 -55.86 5.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.54 -51.41 65.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.72 -55.59 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.7 m -61.02 -47.43 86.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mt -48.87 -42.16 35.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 22' ' ' ALA . 70.4 t80 -59.26 -67.33 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' PHE . 44.7 mt-10 -35.5 -60.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.71 -34.67 71.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -56.47 -49.89 73.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.27 -19.52 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -85.32 -38.87 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -81.59 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 11.7 m-85 -80.85 -64.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.77 -144.44 18.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -76.06 48.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.54 66.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CE2' ' CD1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -43.98 -39.7 4.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -47.1 -58.67 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.5 -57.92 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG22 ' CB ' ' A' ' 37' ' ' PHE . 25.4 mt -49.5 -69.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 26.7 ttp85 -46.55 -21.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -69.55 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.66 -56.49 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.4 m-85 -39.96 -61.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.412 HD22 ' CZ2' ' A' ' 40' ' ' TRP . 7.4 mt -135.01 91.24 19.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.67 0.748 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.29 22.19 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 38.9 p90 -79.3 -43.61 23.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 51.3 mmtt -55.12 148.9 13.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -84.69 165.57 17.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.81 -64.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.6 m -64.64 -46.9 80.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -37.82 -49.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 60.3 mt -63.1 -38.82 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.564 ' CD1' ' CE2' ' A' ' 30' ' ' PHE . 82.1 mt -61.39 -55.49 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' ILE . 21.6 mt-10 -34.52 -49.3 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.4 t80 -54.14 -48.51 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 49' ' ' TYR . 33.0 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.87 0.366 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.93 -52.59 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.3 p -58.21 -50.83 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -54.31 -55.29 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.86 -43.12 28.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.7 t -67.23 -46.7 73.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 12.0 mt -48.72 -42.88 36.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -53.38 -61.09 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -41.07 -60.21 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 11.9 pt-20 -59.97 -39.1 84.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -51.79 -40.43 60.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tp -73.6 -37.12 65.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.81 -36.12 79.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -84.59 -63.61 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 32' ' ' ASP . 4.8 m-85 -81.51 -68.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 118.46 -163.43 13.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.508 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -40.15 -25.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' GLY . 7.6 m-20 -61.86 108.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 47' ' ' ILE . 4.6 m-85 -86.46 -32.65 20.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -54.49 -68.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 2.5 p30 -40.66 -49.24 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.435 HG23 ' CB ' ' A' ' 37' ' ' PHE . 39.8 mt -61.82 -70.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 23.4 ttt-85 -43.18 -24.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' ILE . 4.3 tp60 -64.59 -64.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 37' ' ' PHE . 8.1 m-20 -100.73 -62.37 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 12.2 m-85 -32.65 -66.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.523 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 8.1 mt -135.02 94.77 15.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.78 0.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.56 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 42.6 p90 -56.59 -48.91 76.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 36.3 mmtt -55.44 145.18 23.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 m -77.33 169.77 17.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 11.0 tp -70.26 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -62.25 -47.26 85.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 m -39.83 -44.06 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.64 -38.43 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 30' ' ' PHE . 79.8 mt -57.24 -50.03 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.7 mt-10 -34.83 -51.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.47 -48.81 73.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' ILE . 18.3 t80 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.74 -55.5 6.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.4 t -48.92 -61.71 1.91 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -48.29 -46.59 36.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.08 -47.09 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.31 -51.27 70.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mt -47.19 -36.44 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -60.28 -58.13 9.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -46.5 -56.12 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.49 -40.16 96.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 37' ' ' PHE . . . -50.43 -45.08 55.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 HD11 ' C ' ' A' ' 27' ' ' GLY . 9.9 tp -67.84 -40.08 83.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.3 -38.44 90.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -83.86 -63.08 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 4.1 m-85 -82.95 -64.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 103.02 -159.89 17.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 10.4 mtpt -36.18 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLY . 28.6 m-20 -59.0 87.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.589 ' CD2' ' CD1' ' A' ' 47' ' ' ILE . 3.3 m-85 -72.19 -36.63 69.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -48.94 -64.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 61.0 m-20 -45.36 -50.88 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.459 HG23 ' CB ' ' A' ' 37' ' ' PHE . 20.2 mt -55.97 -72.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 40.6 ttt180 -44.88 -25.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -63.9 -64.29 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -102.92 -61.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 13.8 m-85 -34.14 -63.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.565 HD22 ' CZ2' ' A' ' 40' ' ' TRP . 7.4 mt -135.07 94.38 16.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.94 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.607 2.205 . . . . 0.0 112.29 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.565 ' CZ2' HD22 ' A' ' 38' ' ' LEU . 40.4 p90 -60.76 -42.07 96.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 39.4 mmtm -59.55 157.91 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -88.72 179.26 6.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 2.4 tm? -77.81 -56.18 4.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' ILE . 12.9 m -71.09 -45.78 63.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 m -39.78 -47.87 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 65.7 mt -63.12 -35.16 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.589 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 85.9 mt -63.68 -56.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ILE . 28.5 mt-10 -35.02 -44.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -57.36 -51.14 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.968 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ILE . 38.8 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' ALA . 10.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.899 0.381 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -38.08 -61.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -43.57 -51.89 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.55 -55.2 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.49 -61.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.1 t -49.93 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' PHE . 6.4 mt -38.17 -61.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 40.8 t80 -37.07 -64.64 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -42.32 -46.4 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -65.4 -50.16 66.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -43.29 -57.78 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tp -52.99 -24.8 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -87.8 -35.86 17.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -78.57 -63.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -81.54 -63.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.01 -145.1 15.55 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -75.98 48.48 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.39 90.04 2.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 47' ' ' ILE . 1.1 m-85 -64.01 -40.82 97.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -45.09 -69.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -43.56 -54.22 5.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.449 HG22 ' CB ' ' A' ' 37' ' ' PHE . 65.8 mt -51.93 -65.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 42' ' ' SER . 49.3 ttt180 -48.13 -20.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.69 -63.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.49 -60.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.449 ' CB ' HG22 ' A' ' 33' ' ' ILE . 7.6 m-85 -36.27 -62.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.566 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 7.7 mt -134.98 93.32 17.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.76 -37.44 9.16 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.65 2.233 . . . . 0.0 112.309 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.566 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 38.9 p90 -70.84 -40.62 72.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 4.2 mmpt? -56.62 161.41 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.429 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 8.7 m -102.1 163.79 12.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 1.1 tm? -56.12 -57.55 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.9 m -72.7 -47.85 43.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.4 m -37.64 -48.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.5 mt -64.25 -38.97 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.616 ' CD1' ' CE2' ' A' ' 30' ' ' PHE . 91.6 mt -61.11 -52.47 61.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' ILE . 7.7 mt-10 -35.09 -53.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -46.36 -47.73 18.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.403 ' N ' ' O ' ' A' ' 47' ' ' ILE . 90.7 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.02 -53.62 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.03 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.6 m -50.31 -55.13 16.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -57.17 -53.23 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.24 32.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.5 m -59.07 -43.16 91.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 2.9 mt -57.35 -44.73 84.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 22' ' ' ALA . 66.7 t80 -54.26 -66.58 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' PHE . 43.8 mt-10 -35.03 -61.76 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 8.3 pt-20 -58.68 -34.73 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -55.55 -36.37 66.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.478 HD23 ' CE1' ' A' ' 50' ' ' TYR . 9.5 tp -77.66 -30.24 51.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -77.41 -34.12 54.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -87.31 -63.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 3.2 m-85 -78.28 -65.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.11 -148.79 18.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -75.51 49.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ASN . 0.9 OUTLIER -124.77 56.34 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 47' ' ' ILE . 1.4 m-85 -34.49 -32.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ASP . 1.9 p30 -59.87 -62.78 1.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -50.19 -33.43 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.433 HG23 ' CB ' ' A' ' 37' ' ' PHE . 35.7 mt -74.52 -72.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 25.8 ttt180 -44.79 -23.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -67.0 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.2 m-20 -102.56 -60.36 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 5.8 m-85 -36.53 -62.5 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.988 0.423 . . . . 0.0 110.982 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.536 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 7.0 mt -134.69 93.17 18.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.645 0.736 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -27.68 26.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.536 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 39.9 p90 -82.21 -42.55 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 23.5 mmtt -54.57 154.17 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.9 m -92.33 149.06 21.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -62.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.2 m -62.11 -54.07 46.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' THR . 31.2 t -37.63 -54.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 21.1 mt -55.73 -35.53 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.563 HD13 ' CE2' ' A' ' 30' ' ' PHE . 50.2 mt -64.88 -53.15 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.4 mt-10 -35.19 -49.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.34 -45.63 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.478 ' CE1' HD23 ' A' ' 23' ' ' LEU . 63.2 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.82 -53.53 55.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 m -57.22 -55.14 38.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -54.05 -48.97 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.59 -61.82 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -47.13 -45.95 22.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 mt -51.58 -44.84 62.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.692 ' CD2' ' CE1' ' A' ' 49' ' ' TYR . 70.8 t80 -64.23 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' PHE . 2.5 mm-40 -37.18 -50.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.5 pt-20 -69.25 -33.6 73.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -57.88 -48.31 80.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.15 -23.59 67.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -86.25 -38.48 17.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -78.4 -63.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 32' ' ' ASP . 7.1 m-85 -81.44 -64.78 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.49 -146.87 16.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -77.1 47.28 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -126.11 74.6 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -48.32 -39.78 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -53.63 -56.53 16.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 7.5 t0 -50.7 -52.77 37.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.431 ' CG2' ' HB2' ' A' ' 37' ' ' PHE . 15.1 mt -58.88 -68.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 36.9 ttt-85 -45.13 -22.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 33' ' ' ILE . 18.7 tt0 -65.71 -64.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.6 m-20 -105.89 -57.79 2.0 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 5.4 m-85 -35.72 -65.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.561 HD22 ' CZ2' ' A' ' 40' ' ' TRP . 7.6 mt -135.07 92.93 17.69 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -25.6 28.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.738 2.292 . . . . 0.0 112.384 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 35.6 p90 -82.26 -40.72 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 26.6 mmtp -60.84 128.32 35.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 p -58.8 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' C ' HD11 ' A' ' 43' ' ' LEU . 1.6 tm? -82.39 -54.37 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.9 m -68.19 -48.26 65.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' THR . 9.4 t -37.58 -57.43 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 22.5 mt -51.5 -38.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 30' ' ' PHE . 72.7 mt -63.91 -57.08 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.6 mt-10 -36.47 -52.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.692 ' CE1' ' CD2' ' A' ' 19' ' ' PHE . 4.2 t80 -45.82 -44.3 14.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ILE . 91.6 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -140.67 168.75 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -137.85 157.74 45.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.07 123.58 1.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -51.8 103.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -159.72 154.95 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.34 -118.27 9.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.557 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -134.11 130.21 37.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -44.04 138.52 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -137.36 106.22 5.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -91.24 174.83 7.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -116.82 147.73 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.23 -53.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -57.82 -46.38 84.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.28 -48.21 81.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.65 -56.11 17.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.0 m -53.92 -44.29 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.02 -47.86 61.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' ALA . 67.3 t80 -59.34 -62.49 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -40.47 -60.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.36 -28.05 64.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -65.04 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD11 ' C ' ' A' ' 27' ' ' GLY . 9.8 tp -70.83 -51.78 24.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.46 -33.86 70.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -82.63 -63.52 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.22 -66.09 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.42 ' C ' HD11 ' A' ' 23' ' ' LEU . . . 120.87 -147.36 17.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -75.78 48.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.69 69.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CE2' HD12 ' A' ' 47' ' ' ILE . 2.2 m-85 -46.53 -33.31 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.89 -60.52 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -48.82 -40.19 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.7 mt -70.51 -67.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 48.3 ttt180 -47.25 -21.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -67.44 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.62 -60.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.3 m-85 -36.3 -62.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -134.97 93.16 17.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.631 0.729 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -45.31 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.367 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.545 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.2 p90 -62.87 -48.01 80.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 34.4 mmtt -53.89 156.31 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -92.7 167.83 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -64.13 -61.26 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 47' ' ' ILE . 2.2 m -66.42 -48.78 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.9 m -39.87 -42.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.45 -36.15 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.563 HD12 ' CE2' ' A' ' 30' ' ' PHE . 58.2 mt -63.83 -52.75 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' ILE . 22.2 mt-10 -34.46 -55.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 50' ' ' TYR . 11.7 t80 -48.06 -51.48 24.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' TYR . 92.0 t80 -34.46 -50.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -57.48 -53.23 60.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -56.78 -30.09 63.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -75.02 -43.67 52.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -26.01 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.6 p -88.52 14.68 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.5 p -66.41 -176.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.7 t0 67.69 32.93 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' TYR . 10.4 mmm180 -96.84 100.38 11.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 34.41 52.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.7 p -81.33 -31.6 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -94.11 162.5 13.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -86.62 158.14 19.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -67.09 154.99 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -152.13 149.46 28.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.9 p -79.94 156.5 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.3 -158.44 10.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 -19.53 36.28 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.3 m 48.09 43.1 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -88.64 124.57 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -92.56 146.09 23.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.954 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -100.6 99.39 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.65 -145.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -130.06 -44.11 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 p -155.09 130.65 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.07 167.93 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 tpt -109.29 93.93 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -133.16 117.55 17.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -113.53 117.68 32.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.508 ' CE2' ' NZ ' ' A' ' 41' ' ' LYS . 17.1 m95 -112.47 118.09 34.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 t -80.36 150.85 29.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.1 -62.4 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -38.74 -51.33 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.41 -58.92 4.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -37.23 -54.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.86 -55.56 31.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 10.0 mt -42.03 -46.04 4.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 47.2 t80 -59.82 -56.81 17.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -43.43 -54.47 4.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 11.4 pt-20 -64.12 -40.74 96.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 37' ' ' PHE . . . -51.76 -58.9 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -43.92 -37.87 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -83.45 -29.33 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -69.63 -63.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -96.1 -64.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.59 -163.56 25.2 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 7.2 mmmm -46.87 -20.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.777 0.322 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.36 98.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.544 ' CE2' HG12 ' A' ' 47' ' ' ILE . 4.7 m-85 -75.04 -25.55 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.77 -68.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -38.38 -48.18 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 mt -63.35 -66.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.8 ttp180 -47.61 -21.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -69.75 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' PHE . 5.0 m-20 -99.48 -62.34 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 9.7 m-85 -36.09 -63.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB3' ' CG ' ' A' ' 41' ' ' LYS . 9.3 mt -133.39 93.36 22.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.18 11.3 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.7 p90 -73.77 -44.1 57.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 24.1 mmmt -53.41 149.05 8.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -80.9 -179.4 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.801 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 43' ' ' LEU . 2.2 tm? -77.4 -57.34 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' ILE . 8.8 m -69.78 -48.33 59.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' THR . 4.6 t -37.79 -54.06 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 44.2 mt -55.63 -36.05 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.544 HG12 ' CE2' ' A' ' 30' ' ' PHE . 77.5 mt -63.02 -52.54 57.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ILE . 22.6 mt-10 -35.29 -50.43 0.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 7.9 t80 -48.3 -46.69 36.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' ILE . 55.6 t80 -42.56 -58.23 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -45.61 -65.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' THR . 21.4 ttp -48.56 -63.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.403 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 20.7 t90 -41.89 -35.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -74.33 -38.85 63.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' MET . 71.6 p -64.4 -44.7 90.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.1 p -40.73 160.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.31 46.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.795 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.21 -61.23 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -126.9 88.74 2.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.2 p -151.24 134.86 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 56.6 41.82 27.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.55 109.44 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -40.55 118.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -127.38 155.06 44.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -64.71 106.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.33 151.39 6.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 166.36 27.93 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.0 p -121.53 -35.98 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -53.71 120.5 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.471 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -69.03 167.43 15.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -51.61 175.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.96 97.84 2.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.7 p -81.21 42.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.782 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -102.48 151.96 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.56 148.07 31.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.0 tpt -101.2 82.16 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -54.25 123.54 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -95.3 124.86 39.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -89.89 166.11 13.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.8 t -112.5 160.12 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.62 -58.57 6.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.2 m -48.31 -58.09 5.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -54.64 -50.08 68.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.16 -44.79 22.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.0 t -64.31 -51.88 61.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -47.31 -41.83 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 22' ' ' ALA . 30.7 t80 -56.99 -67.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' PHE . 21.2 mt-10 -34.54 -60.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.83 -34.98 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.55 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -55.87 -46.4 78.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.44 -27.04 64.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -81.73 -30.99 32.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -84.85 -63.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -76.88 -66.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.31 -145.71 16.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.429 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -75.73 48.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -133.15 74.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CE2' HD12 ' A' ' 47' ' ' ILE . 3.7 m-85 -47.72 -44.7 27.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.49 -61.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.67 -56.85 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 37' ' ' PHE . 24.6 mt -52.3 -72.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 33.8 ttt-85 -45.2 -21.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' ILE . 10.6 tt0 -66.58 -64.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.0 m-20 -106.09 -56.77 2.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 9.6 m-85 -36.83 -67.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.564 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 9.2 mt -132.27 92.11 29.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.38 36.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.286 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.564 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 34.2 p90 -89.14 -42.8 11.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.493 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 17.6 mmtt -61.78 125.57 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 m -59.17 160.17 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 6.1 tp -59.91 -66.27 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 47' ' ' ILE . 2.2 m -57.0 -49.45 75.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' THR . 31.2 t -38.24 -48.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.2 mt -63.34 -38.13 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.568 HD12 ' CE2' ' A' ' 30' ' ' PHE . 63.0 mt -60.23 -54.67 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ILE . 27.8 mt-10 -36.33 -53.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.483 ' CZ ' ' HE3' ' A' ' 52' ' ' MET . 11.6 t80 -48.18 -44.04 32.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.988 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' ILE . 26.0 t80 -46.9 -50.93 17.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -55.71 -53.48 56.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.483 ' HE3' ' CZ ' ' A' ' 49' ' ' TYR . 20.1 ttp -56.51 -57.99 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -52.69 -30.51 32.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -39.3 74.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.6 p -71.0 -44.62 65.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -39.47 144.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.83 34.6 1.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.4 141.26 38.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 66.56 55.08 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -144.04 153.64 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -54.44 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -151.57 143.4 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -157.06 136.04 11.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -131.41 82.21 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.3 p -82.08 42.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.64 83.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -18.3 36.73 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.309 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.8 p -122.97 115.99 22.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.8 p -71.01 155.01 41.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -77.21 140.74 40.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.394 . . . . 0.0 110.899 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -132.27 150.53 52.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.09 52.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -119.75 100.62 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 m -83.45 132.09 34.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.35 -156.4 8.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.7 mtt -152.95 122.67 6.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.745 0.307 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 40.03 29.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -76.6 100.51 5.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -118.21 115.15 24.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 t -92.41 169.39 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.66 -54.99 18.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -55.93 -55.31 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.65 -43.71 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.36 -56.37 15.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.97 -47.17 78.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mt -49.04 -35.78 16.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CE2' ' CD1' ' A' ' 49' ' ' TYR . 93.2 t80 -69.41 -62.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -37.83 -50.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.79 -31.32 68.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.56 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -61.0 -31.28 70.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 tp -82.68 -24.35 33.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -86.78 -32.13 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 26' ' ' TYR . 7.4 tmtm? -84.59 -63.66 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 2.8 m-85 -78.25 -59.39 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.02 -147.61 18.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.415 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -77.3 47.13 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.798 0.333 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -125.49 71.45 1.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 47' ' ' ILE . 1.4 m-85 -51.2 -31.14 19.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -58.31 -58.03 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.516 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 6.4 t0 -52.16 -50.84 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.414 ' C ' ' N ' ' A' ' 35' ' ' GLN . 63.5 mt -53.75 -71.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 42.6 ttp85 -44.47 -22.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 33' ' ' ILE . 1.1 tp-100 -65.53 -63.95 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.1 m-20 -106.14 -57.88 1.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 8.1 m-85 -34.79 -67.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.532 HD21 ' CZ2' ' A' ' 40' ' ' TRP . 8.8 mt -134.46 93.37 18.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.63 0.728 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -13.86 35.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.728 2.286 . . . . 0.0 112.394 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.532 ' CZ2' HD21 ' A' ' 38' ' ' LEU . 38.5 p90 -101.97 38.42 1.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -137.73 157.15 47.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.5 m -93.7 168.43 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.34 -58.44 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -68.75 -49.64 57.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.9 m -37.6 -56.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.796 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 96.2 mt -55.59 -38.2 48.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 30' ' ' PHE . 81.5 mt -61.01 -53.02 54.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ILE . 40.7 mt-10 -35.24 -49.32 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 53' ' ' TRP . 7.5 t80 -50.79 -44.43 58.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 56.0 t80 -48.05 -37.65 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' A' ' 47' ' ' ILE . 17.6 m-85 -82.31 -45.07 15.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.562 ' HE3' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -63.34 -20.83 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.565 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 36.5 t90 -88.85 -36.93 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -76.82 -35.95 57.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.5 p -68.53 -38.11 80.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.8 p -56.85 148.62 20.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 3.5 p-10 -81.05 46.36 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -44.9 -57.97 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -116.54 80.4 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.2 p -92.54 142.21 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -116.74 176.81 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.67 120.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.49 136.57 43.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 -54.87 148.73 12.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -150.4 130.86 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.74 168.46 22.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 154.45 67.39 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.276 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.0 p -113.35 158.33 20.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 t -77.95 -45.1 24.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -82.19 155.16 25.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -96.83 173.48 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.7 86.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.439 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 6' ' ' SER . 32.0 p -161.77 148.27 13.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 5' ' ' SER . 37.2 t -36.29 130.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.68 -137.25 9.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.551 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 mmt -44.99 148.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.813 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -93.28 168.86 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -71.25 99.77 1.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -139.21 109.62 6.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -57.26 163.39 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.85 -50.75 71.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.8 p -54.85 -46.4 74.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -51.56 52.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.52 -46.48 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.7 t -62.42 -46.15 89.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.3 -41.77 72.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -56.84 -59.42 5.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -42.65 -59.98 1.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.41 -33.4 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -57.58 -42.04 82.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.14 -40.11 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.79 -40.55 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -81.5 -63.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 7.2 m-85 -84.5 -62.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.64 -152.8 19.18 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 6.3 tmtt? -40.64 -30.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -58.45 90.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 4.2 m-85 -72.08 -36.13 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -54.56 -61.09 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 73.0 m-20 -45.1 -45.42 11.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG23 ' CB ' ' A' ' 37' ' ' PHE . 19.6 mt -67.31 -68.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' NE ' HD23 ' A' ' 43' ' ' LEU . 20.9 ttp180 -44.46 -23.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -66.88 -64.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' PHE . 4.3 m-20 -102.79 -60.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 11.1 m-85 -35.87 -62.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.476 HD21 ' CZ2' ' A' ' 40' ' ' TRP . 7.5 mt -135.0 93.58 17.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -49.61 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.262 . . . . 0.0 112.322 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.1 p90 -58.42 -46.7 85.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 19.7 mmtm -56.64 151.58 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -86.13 178.45 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 47' ' ' ILE . 1.2 tm? -74.62 -58.26 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.0 OUTLIER -65.54 -48.85 71.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -38.15 -54.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -59.47 -34.13 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.563 HD12 ' CE2' ' A' ' 30' ' ' PHE . 74.8 mt -64.74 -53.0 47.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' ILE . 38.7 mt-10 -34.98 -47.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -62.47 -44.74 95.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' ILE . 12.0 t80 -51.51 -46.44 63.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -52.82 -55.03 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.5 ttp -57.6 -48.06 80.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.526 ' CZ2' HG23 ' A' ' 60' ' ' VAL . 3.8 t90 -57.45 -37.35 72.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -38.21 66.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.8 p -68.89 -40.91 78.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.1 t -79.96 -28.98 39.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 54.8 38.02 29.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -62.17 85.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.97 51.0 4.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.917 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.526 HG23 ' CZ2' ' A' ' 53' ' ' TRP . 99.5 t -103.23 -54.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -43.4 136.66 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.01 159.02 31.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -123.51 175.14 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.9 ptt85 -52.3 -47.64 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.815 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 t -83.01 43.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.7 83.49 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -174.26 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -77.84 138.85 39.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.9 m -98.06 155.92 16.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 51.77 42.14 29.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -167.66 119.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.82 -49.93 56.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.442 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -59.93 116.27 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.844 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -38.27 107.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.34 -64.73 1.56 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.59 172.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.676 0.274 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -138.3 138.17 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -120.93 114.23 21.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -118.86 164.3 15.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -91.05 133.94 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.17 -47.44 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -58.2 -56.78 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' OE1' ' CD2' ' A' ' 38' ' ' LEU . 15.9 mm-40 -55.26 -41.47 72.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.76 -58.08 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.1 m -48.11 -48.73 33.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.952 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.67 -53.91 33.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 46' ' ' ILE . 36.6 t80 -46.58 -64.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -40.66 -63.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.96 -20.03 48.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' PHE . . . -76.1 -38.05 57.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.87 -38.02 64.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.62 -32.57 71.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -83.26 -63.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 2.5 m-85 -72.98 -67.07 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.67 -141.91 14.85 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -79.4 44.48 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.37 81.8 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CD2' ' CD1' ' A' ' 47' ' ' ILE . 2.8 m-85 -53.86 -36.25 62.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -60.12 -59.05 6.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 1.4 m-20 -44.67 -37.46 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.7 mt -77.03 -68.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 49.2 ttt-85 -48.18 -20.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -66.49 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -103.48 -62.08 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.9 m-85 -34.17 -63.92 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.567 HD22 ' CZ2' ' A' ' 40' ' ' TRP . 6.8 mt -134.54 94.23 17.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -36.27 11.19 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CZ2' HD22 ' A' ' 38' ' ' LEU . 42.4 p90 -70.8 -46.29 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 30.1 mmtm -50.79 153.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.6 m -88.9 166.88 13.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -59.16 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.3 m -68.72 -46.95 67.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.6 p -39.31 -44.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.563 HG22 ' CE1' ' A' ' 19' ' ' PHE . 21.3 mt -69.92 -37.3 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.562 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 97.1 mt -59.71 -55.69 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' ILE . 33.6 mt-10 -34.41 -57.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -41.21 -50.78 3.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -41.52 -55.32 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -49.6 -41.12 41.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.0 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -71.37 -46.45 60.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -52.94 -60.37 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -40.39 63.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.7 p -84.51 14.39 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.0 m -86.55 -54.86 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 43.19 43.04 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -104.86 96.49 6.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 1.7 m-85 49.16 42.5 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 61' ' ' GLN . 9.8 t -150.17 149.15 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' N ' HG12 ' A' ' 60' ' ' VAL . 34.3 mt-30 62.93 43.51 6.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -79.89 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -52.65 -44.68 66.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -41.43 -59.93 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -59.22 144.61 45.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' N ' ' HD2' ' A' ' 67' ' ' PRO . . . 140.86 -62.5 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.439 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 66' ' ' GLY . 54.3 Cg_endo -69.71 -1.74 8.94 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.4 p -124.96 109.38 12.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 p -133.45 141.02 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.465 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -133.54 146.68 51.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.3 t -71.55 138.88 49.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.2 56.89 0.58 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -124.4 129.73 51.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -53.35 130.42 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.63 147.18 4.83 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.79 168.92 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -101.28 160.05 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -106.11 134.77 48.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -112.18 121.67 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 m -64.31 149.33 48.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.88 -56.17 1.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 t -59.46 -46.14 89.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -50.45 -52.86 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.29 -66.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' LEU . 32.5 m -41.81 -60.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' CYS . 5.8 mt -35.38 -64.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' LEU . 27.6 t80 -36.92 -62.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -44.82 -40.23 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -73.6 -42.68 61.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -52.33 -41.38 62.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 27' ' ' GLY . 8.0 tp -68.55 -60.38 2.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -51.62 -37.17 48.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -76.6 -63.43 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.504 ' CZ ' ' OD1' ' A' ' 32' ' ' ASP . 4.2 m-85 -83.95 -62.22 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' LEU . . . 118.94 -142.81 17.04 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.47 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -75.89 48.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.26 76.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 47' ' ' ILE . 5.9 m-85 -58.43 -20.97 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -68.77 -61.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 6.9 t0 -52.49 -37.91 58.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.9 mt -68.56 -68.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -47.3 -21.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.416 ' OE1' ' CG ' ' A' ' 36' ' ' ASP . 1.4 tm0? -68.9 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.4 m-20 -100.03 -62.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.935 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 9.3 m-85 -35.68 -62.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 mt -135.02 93.67 16.98 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.685 0.755 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -37.04 9.67 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.625 2.216 . . . . 0.0 112.391 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.509 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 44.9 p90 -72.41 -45.11 61.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 59.8 mmtt -52.05 151.93 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 m -85.15 178.16 7.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -74.29 -57.17 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.6 m -71.81 -47.74 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -37.8 -53.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.2 mt -57.02 -34.86 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.224 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 30' ' ' PHE . 93.1 mt -66.74 -50.73 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.086 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ILE . 23.8 mt-10 -34.15 -47.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.55 ' CE1' ' HE2' ' A' ' 52' ' ' MET . 2.3 t80 -55.55 -44.81 77.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 47' ' ' ILE . 50.7 t80 -38.21 -50.69 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -59.2 -59.18 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.55 ' HE2' ' CE1' ' A' ' 49' ' ' TYR . 15.6 tmm? -44.88 -51.25 9.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -66.37 -41.11 89.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -48.24 -42.26 29.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p -88.34 -41.73 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.0 m -62.28 -62.63 1.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 53.95 41.72 31.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 tpt85 -52.03 -52.91 47.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -129.55 100.6 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.9 p -146.24 130.55 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 62' ' ' GLN . 3.7 pt20 -38.34 -37.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.44 ' N ' ' HG3' ' A' ' 61' ' ' GLN . 9.9 tp60 -62.4 110.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -100.11 88.63 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -114.84 83.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.3 t -111.28 124.62 52.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.16 -81.41 1.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.537 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 97.61 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.2 p -121.64 167.49 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.5 m -132.66 -56.73 0.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.49 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -102.99 128.88 49.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 m -155.45 113.87 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.72 92.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 m -152.77 111.95 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.792 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -90.69 140.03 30.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.12 -113.92 0.68 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 mtt -143.32 172.72 12.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -97.89 171.39 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -143.88 116.25 8.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.515 ' CZ2' ' HD2' ' A' ' 41' ' ' LYS . 42.3 m95 -128.1 110.93 12.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' ALA . 1.2 t -80.11 151.18 29.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -35.38 -60.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.6 m -43.98 -50.8 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.06 -52.9 60.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.8 -49.02 5.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 t -65.16 -45.64 84.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -48.99 -41.68 35.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 73.0 t80 -60.3 -64.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' PHE . 12.4 mt-10 -35.8 -56.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.9 pt-20 -63.7 -33.95 76.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.561 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -55.98 -49.33 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -63.25 -36.42 83.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.09 -40.78 82.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -78.65 -63.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.587 ' CE1' ' OD2' ' A' ' 32' ' ' ASP . 12.2 m-85 -87.43 -64.55 1.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 106.26 -155.68 16.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 12.9 mmmm -38.97 -26.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLY . 14.3 t0 -62.57 87.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.555 ' CE2' HG12 ' A' ' 47' ' ' ILE . 3.9 m-85 -71.82 -36.22 70.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -51.94 -57.81 8.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.587 ' OD2' ' CE1' ' A' ' 26' ' ' TYR . 7.0 t0 -49.81 -50.06 46.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.422 ' CG2' ' HB2' ' A' ' 37' ' ' PHE . 18.6 mt -60.39 -69.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.23 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 21.1 ttt180 -45.22 -22.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -69.02 -64.01 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 37' ' ' PHE . 8.9 m-20 -101.77 -60.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 11.0 m-85 -36.06 -66.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 9.3 mt -132.3 93.22 26.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -29.96 22.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.528 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 35.9 p90 -77.45 -44.97 27.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.515 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 16.0 mmtm -54.66 152.08 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.488 ' O ' ' CD1' ' A' ' 46' ' ' ILE . 31.5 m -84.12 174.5 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.744 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.44 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -71.0 -60.13 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.3 m -67.14 -48.55 67.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' THR . 85.7 p -37.77 -53.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 42' ' ' SER . 18.9 mt -57.56 -37.51 58.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.555 HG12 ' CE2' ' A' ' 30' ' ' PHE . 65.8 mt -61.62 -55.19 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 47' ' ' ILE . 36.2 mt-10 -36.2 -47.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE2' ' HE2' ' A' ' 52' ' ' MET . 8.5 t80 -50.3 -44.85 54.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 47' ' ' ILE . 69.3 t80 -47.4 -42.24 21.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -79.72 -43.48 22.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.565 ' HE2' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -67.77 -14.33 62.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.893 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.554 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 50.4 t90 -90.37 -37.6 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -34.5 23.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.7 p -67.77 -36.08 79.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.202 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.435 ' CG2' ' O ' ' A' ' 52' ' ' MET . 11.0 p -52.22 128.9 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' ARG . 4.8 p-10 -35.12 -39.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ASP . 16.4 tpt85 -35.08 142.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 47.35 40.61 11.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.0 p -39.42 -41.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -39.84 106.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.987 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -152.61 126.95 9.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -71.35 120.59 17.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -117.4 -55.74 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 p -50.28 116.87 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.9 -94.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 83.99 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.372 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.6 t -88.34 170.63 10.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 70' ' ' GLY . 8.0 t -98.05 173.56 6.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.518 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -86.22 -44.49 12.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.346 . . . . 0.0 110.811 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -114.68 158.26 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.42 167.81 16.34 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 m -86.85 88.29 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t 57.66 40.71 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.25 102.1 1.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.4 mtm -140.85 122.05 14.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 42.03 29.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -87.79 43.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -39.01 128.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.3 p -104.1 169.68 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.76 -54.3 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.4 p -54.71 -47.64 73.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -61.08 2.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.79 -63.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.52 -55.52 18.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' PHE . 8.4 mt -42.52 -62.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 41.9 t80 -36.16 -67.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' OE2' ' NE1' ' A' ' 53' ' ' TRP . 30.1 mt-10 -40.46 -45.62 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.95 -35.69 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.54 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -59.41 -43.08 93.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -68.06 -56.21 9.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -53.63 -37.19 62.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -77.61 -63.63 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 3.8 m-85 -79.77 -64.97 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 119.04 -141.62 16.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 48.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -133.95 79.06 1.8 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CE2' HG12 ' A' ' 47' ' ' ILE . 4.7 m-85 -55.28 -30.56 60.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -59.13 -63.02 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 76.1 m-20 -45.23 -43.58 10.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.436 HG12 ' CB ' ' A' ' 22' ' ' ALA . 38.4 mt -67.2 -71.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -45.6 -21.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 33' ' ' ILE . 44.3 tt0 -67.38 -63.56 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.5 m-20 -103.44 -61.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.54 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 7.5 m-85 -35.54 -62.58 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.522 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 7.3 mt -134.99 93.61 17.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.569 0.7 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.45 3.38 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.522 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 43.8 p90 -67.24 -44.32 79.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HG2' ' NE1' ' A' ' 40' ' ' TRP . 37.8 mmtt -49.95 159.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -92.39 174.5 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 43' ' ' LEU . 1.4 tm? -72.36 -59.59 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.3 m -68.87 -48.28 63.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.5 m -38.25 -50.8 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.48 -35.59 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.567 HG12 ' CE2' ' A' ' 30' ' ' PHE . 84.9 mt -63.39 -45.68 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -42.43 -46.54 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 4.1 t80 -54.62 -43.1 71.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -41.44 -53.26 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -62.18 -56.96 13.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.954 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 52' ' ' MET . 8.4 tmm? -46.15 -61.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.491 ' NE1' ' OE2' ' A' ' 20' ' ' GLU . 69.5 t90 -56.37 -43.21 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -55.7 -48.41 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.6 p -68.78 -30.6 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.6 m -44.02 137.93 3.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -114.73 81.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -97.69 -50.97 4.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -128.8 81.54 2.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.3 t -127.47 -55.58 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -49.82 160.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -131.6 141.61 49.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -42.24 98.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -40.36 -59.02 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -78.93 94.87 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.53 -158.49 10.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -42.37 3.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.612 2.208 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.4 m -41.36 -58.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.0 p -62.41 164.71 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.509 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 p -135.82 138.93 43.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -52.12 159.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.91 67.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.536 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 m -59.86 109.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m 57.88 42.23 23.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.28 -97.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.2 mmt -63.18 103.36 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.319 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -90.18 152.14 21.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.51 115.89 30.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -144.78 105.94 4.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -58.82 160.82 5.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.782 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.51 -62.66 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.7 m -56.83 -44.84 82.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -52.56 -49.35 65.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.56 -65.26 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.8 m -46.76 -55.52 7.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -36.75 -54.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -45.57 -63.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -42.99 -40.61 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' GLU . 4.2 mm-40 -69.63 -50.33 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.02 -53.65 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD21 ' CE1' ' A' ' 50' ' ' TYR . 10.0 tp -58.06 -26.32 62.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.7 mm-40 -81.9 -42.83 18.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -76.28 -63.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -83.88 -68.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.414 ' C ' HD13 ' A' ' 23' ' ' LEU . . . 125.6 -143.24 14.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -78.46 45.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.765 0.317 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' ASN . 5.1 m-20 -121.19 56.46 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' CE2' HD12 ' A' ' 47' ' ' ILE . 5.4 m-85 -34.13 -33.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' ASP . 34.5 m-80 -61.05 -56.85 16.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -54.8 -36.67 65.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.3 mt -71.61 -69.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.462 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 32.7 ttt180 -46.49 -21.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.07 -64.24 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.94 -60.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.7 m-85 -33.34 -65.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.98 94.28 16.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.95 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.376 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.537 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.0 p90 -58.17 -49.31 77.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.537 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 15.8 mmtm -58.25 144.42 41.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -77.91 165.37 24.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.482 ' CD2' HD13 ' A' ' 47' ' ' ILE . 8.2 tt -66.79 -64.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -54.42 -51.14 65.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.5 m -41.48 -41.57 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.0 mt -68.43 -36.76 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.559 HD12 ' CE2' ' A' ' 30' ' ' PHE . 63.7 mt -62.84 -52.76 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ILE . 38.9 mt-10 -34.76 -59.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -43.83 -44.9 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.468 ' CE1' HD21 ' A' ' 23' ' ' LEU . 28.9 t80 -41.62 -57.59 2.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -54.67 -47.09 74.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -57.09 -57.89 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -54.68 -49.48 70.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -52.68 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' THR . 81.8 p -66.4 -42.95 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' THR . 91.8 m -37.11 143.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -66.05 84.5 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -138.11 113.76 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 t80 47.75 52.26 12.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.51 143.82 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -98.75 -49.69 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -70.6 87.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -63.41 142.55 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -105.42 134.5 48.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 t -81.24 170.16 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.36 75.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 162.77 40.73 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.703 2.269 . . . . 0.0 112.392 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.9 m -120.68 -59.99 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -46.69 -44.81 18.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -156.97 142.1 17.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -74.87 -45.99 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.19 164.79 11.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 p -105.38 149.89 25.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.6 p -162.59 108.51 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.41 -44.3 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.92 153.78 19.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.66 160.11 20.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -110.19 95.45 5.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -126.52 113.98 17.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t -61.99 160.7 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.815 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.65 -57.72 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m -47.9 -48.52 31.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.13 -41.04 97.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.22 -51.17 14.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.05 -50.46 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' PHE . 10.0 mt -44.63 -64.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 49' ' ' TYR . 42.4 t80 -34.93 -65.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -42.21 -46.76 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.71 -46.64 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -46.92 -58.16 4.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.171 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD21 ' CE1' ' A' ' 50' ' ' TYR . 9.1 tp -54.82 -35.71 64.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -66.33 -45.49 80.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -78.68 -63.62 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 10.9 m-85 -81.91 -66.86 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 104.84 -151.2 17.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.528 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 3.3 mmtp -39.24 -26.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.708 0.29 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' GLY . 4.2 m-20 -64.27 90.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.567 ' CD2' HG12 ' A' ' 47' ' ' ILE . 3.4 m-85 -72.79 -35.05 67.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -56.77 -61.06 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -45.29 -40.65 7.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.4 mt -69.55 -73.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 42' ' ' SER . 14.6 ttt85 -44.58 -25.7 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.8 -64.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.6 m-20 -103.01 -62.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.554 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.8 m-85 -33.18 -64.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -135.03 94.75 15.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -36.28 11.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 41' ' ' LYS . 43.5 p90 -74.66 -44.3 51.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 30.9 mmtm -50.22 152.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.42 ' HA ' ' NH1' ' A' ' 34' ' ' ARG . 1.6 m -83.76 148.95 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -55.41 -65.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' ILE . 22.5 m -59.32 -51.91 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' THR . 12.5 t -37.55 -52.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.3 mt -55.29 -36.92 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.567 HG12 ' CD2' ' A' ' 30' ' ' PHE . 80.5 mt -60.69 -58.16 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ILE . 63.0 mt-10 -34.53 -61.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE1' ' HE1' ' A' ' 52' ' ' MET . 1.0 OUTLIER -35.45 -47.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.555 ' CE1' HD21 ' A' ' 23' ' ' LEU . 37.9 t80 -48.94 -57.71 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.419 ' O ' ' CG2' ' A' ' 55' ' ' THR . 20.9 m-85 -48.95 -46.67 43.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.553 ' HE1' ' CE1' ' A' ' 49' ' ' TYR . 21.2 ttp -63.75 -37.32 86.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -69.08 -62.12 1.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -37.26 59.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.851 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 51' ' ' TYR . 18.2 p -63.96 -44.31 93.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.134 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.4 p -67.7 163.29 21.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.81 41.13 1.58 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -56.06 109.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 25.0 t80 42.77 40.49 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.7 p -44.26 142.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -96.89 112.04 23.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -174.98 155.32 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -83.85 84.38 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -119.19 164.98 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 m -95.31 -60.39 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.815 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 51.19 82.76 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.536 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.611 2.207 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.9 p -160.98 121.96 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.5 t -128.96 105.76 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -82.71 136.32 34.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 p -165.56 157.2 14.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.09 66.65 0.66 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -123.45 139.24 54.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.862 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -130.73 152.14 50.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.67 -129.4 3.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.45 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -80.29 176.24 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.338 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -125.72 150.52 47.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -141.09 128.72 21.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -99.99 135.76 40.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -83.83 175.81 9.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.38 -60.28 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -48.83 -42.96 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.81 -50.56 66.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.24 -60.56 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.5 t -53.81 -47.6 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mt -48.4 -38.73 20.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE2' ' CD1' ' A' ' 49' ' ' TYR . 84.4 t80 -66.63 -64.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' PHE . 25.6 mt-10 -37.75 -48.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.5 pt-20 -70.53 -33.22 70.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.569 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -58.97 -37.43 76.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.18 -33.7 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.93 -24.79 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -63.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 10.9 m-85 -89.63 -62.7 1.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.29 -147.31 16.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -76.88 49.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' PHE . 7.6 t0 -126.96 60.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' HD12 ' A' ' 47' ' ' ILE . 1.6 m-85 -34.69 -38.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -54.96 -66.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -43.81 -37.83 2.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.468 HG21 ' CB ' ' A' ' 37' ' ' PHE . 17.2 mt -73.46 -72.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 39.1 ttt-85 -41.32 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' ILE . 56.8 tt0 -64.94 -64.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' PHE . 4.9 m-20 -102.55 -61.78 1.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 8.5 m-85 -34.03 -63.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.486 HD22 ' CZ2' ' A' ' 40' ' ' TRP . 8.0 mt -135.06 94.32 16.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -44.69 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.65 2.233 . . . . 0.0 112.452 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.486 ' CZ2' HD22 ' A' ' 38' ' ' LEU . 41.4 p90 -62.32 -48.51 79.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' N ' ' CD1' ' A' ' 40' ' ' TRP . 33.4 mmtt -53.73 155.1 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -91.61 161.63 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 9.8 tp -61.29 -64.86 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 47' ' ' ILE . 1.2 m -60.06 -45.3 93.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.5 p -44.47 -45.21 9.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.81 -33.03 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.547 HD12 ' CE2' ' A' ' 30' ' ' PHE . 68.1 mt -63.39 -58.65 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ILE . 26.7 mt-10 -34.45 -49.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 11.8 t80 -48.69 -48.25 40.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' ILE . 53.4 t80 -45.73 -40.83 9.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -79.35 -41.64 27.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.564 ' HE1' ' CE2' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -70.34 -14.15 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 46.6 t90 -92.43 -37.21 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -77.65 -27.26 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 p -67.57 -43.02 81.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' ASP . 33.4 p -46.65 158.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' THR . 1.2 m-20 -36.35 -45.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -55.29 133.56 49.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.1 t80 67.75 42.6 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 61' ' ' GLN . 9.4 t -154.65 153.37 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.445 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -127.35 89.27 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -146.65 172.02 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -51.1 95.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.446 ' HD3' ' N ' ' A' ' 65' ' ' SER . 4.9 tmt_? -171.43 144.3 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.446 ' N ' ' HD3' ' A' ' 64' ' ' ARG . 15.9 p -42.06 164.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.25 145.5 22.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 126.62 13.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.321 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.9 p -75.94 95.03 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.4 p -109.71 167.07 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -107.18 151.05 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -111.47 -56.71 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.34 -138.33 6.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 p -126.86 111.07 13.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.84 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -170.21 119.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.83 -67.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.5 ptp -172.59 174.3 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.735 0.302 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -95.11 165.26 12.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -142.88 120.12 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -123.65 126.99 47.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -83.98 148.41 26.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.03 -53.45 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.1 p -53.49 -47.47 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.496 ' OE1' ' CD2' ' A' ' 38' ' ' LEU . 44.3 mm-40 -58.95 -43.99 91.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.66 -55.92 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 m -50.21 -50.94 47.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mt -48.47 -41.48 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 22' ' ' ALA . 41.0 t80 -58.33 -63.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -38.46 -59.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.19 -32.23 72.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -58.76 -25.61 63.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.416 HD11 ' C ' ' A' ' 27' ' ' GLY . 10.0 tp -84.9 -47.32 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.52 -36.28 80.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -80.78 -63.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 3.4 m-85 -84.81 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 108.47 -161.17 13.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -37.35 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 27' ' ' GLY . 8.0 t0 -57.26 93.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 47' ' ' ILE . 5.9 m-85 -74.72 -36.42 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -57.07 -61.88 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.465 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -42.45 -48.67 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.451 HG22 ' CB ' ' A' ' 37' ' ' PHE . 19.1 mt -63.96 -72.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 37.4 ttt180 -42.61 -24.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ILE . 12.7 tt0 -64.15 -64.26 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.8 m-20 -103.1 -61.38 1.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 12.9 m-85 -33.24 -67.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 8.8 mt -132.86 94.52 20.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -41.58 4.25 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.371 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.559 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 41.2 p90 -67.68 -46.14 73.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 30.5 mmtm -54.96 139.02 42.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -70.11 164.58 23.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 9.3 tp -69.38 -64.79 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -59.7 -47.51 85.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 t -41.43 -42.94 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mt -71.79 -30.41 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 30' ' ' PHE . 75.5 mt -64.02 -56.86 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.565 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 8.8 mm-40 -43.7 -35.19 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -64.89 -36.74 85.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -60.6 -39.59 88.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 19.1 m-85 -56.45 -54.04 50.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.0 ttp -55.07 -59.25 5.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -53.08 -46.18 68.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -48.14 -59.59 3.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.0 p -65.59 -38.99 91.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.4 m -45.33 -52.95 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 46.95 42.21 12.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -90.44 -49.15 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -126.7 81.71 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -97.94 153.72 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -47.17 150.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -76.2 134.89 39.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -104.04 129.28 51.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 64' ' ' ARG . 4.1 tpm_? -154.69 156.29 36.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 20.3 m -70.2 88.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.75 -161.03 8.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 95.77 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.279 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.7 t -81.08 175.53 10.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 70' ' ' GLY . 96.0 p 41.69 40.98 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.541 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t 67.76 42.27 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.341 . . . . 0.0 110.813 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -48.81 124.94 9.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.41 132.35 1.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -71.57 144.18 49.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -97.09 136.79 37.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.55 -80.66 0.17 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.4 mmt -70.65 130.06 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -91.94 172.8 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 46.5 tt0 -112.13 127.65 55.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.552 ' CH2' ' HD2' ' A' ' 41' ' ' LYS . 62.5 m95 -151.24 130.41 12.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -106.78 171.82 7.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.24 -54.15 40.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.1 m -48.2 -63.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -54.15 -42.7 69.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.67 -52.33 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.5 m -60.44 -54.15 48.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -39.42 -53.52 2.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 69.5 t80 -46.32 -59.1 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.812 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.12 -43.61 20.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.26 -47.65 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -47.16 -60.3 2.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 tp -41.17 -39.72 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -43.99 65.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -74.08 -63.78 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.954 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -89.72 -68.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 119.92 -167.62 13.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.512 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 9.7 tmtt? -35.99 -31.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLY . 3.0 m-20 -61.79 89.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.569 ' CE2' HG12 ' A' ' 47' ' ' ILE . 5.5 m-85 -74.16 -33.04 63.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -44.64 -53.26 7.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -65.1 -31.27 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.6 mt -71.24 -66.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 42' ' ' SER . 27.2 ttp180 -48.15 -20.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.5 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.3 m-20 -102.4 -62.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 36' ' ' ASP . 7.8 m-85 -34.89 -62.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.531 HD22 ' CZ2' ' A' ' 40' ' ' TRP . 6.9 mt -134.96 94.08 16.67 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.642 0.734 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.94 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.391 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.8 p90 -58.21 -46.77 85.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 23.1 mmtm -52.26 154.52 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.422 ' C ' ' HD3' ' A' ' 34' ' ' ARG . 1.8 m -92.26 -179.34 5.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -72.63 -57.31 4.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.1 m -76.27 -39.83 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.2 t -43.84 -36.76 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.1 mt -80.53 -26.26 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.569 HG12 ' CE2' ' A' ' 30' ' ' PHE . 65.8 mt -62.83 -52.37 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -45.24 -48.81 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.517 ' CZ ' ' HE2' ' A' ' 52' ' ' MET . 21.5 t80 -51.25 -47.53 62.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -47.59 -37.52 12.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -81.53 -44.48 17.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.517 ' HE2' ' CZ ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -63.16 -20.8 65.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.501 ' O ' ' N ' ' A' ' 56' ' ' THR . 65.6 t90 -92.5 -59.73 2.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 53' ' ' TRP . 0.6 OUTLIER -35.89 -46.17 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.975 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -71.81 -37.64 70.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' TRP . 93.1 m -37.46 149.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -99.54 42.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -104.31 129.05 52.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 48.1 t80 63.05 43.45 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' GLN . 10.1 p -152.38 150.28 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' VAL . 71.4 mt-30 -37.68 142.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -162.91 158.5 22.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.14 41.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 tpp85 -145.94 143.91 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.755 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.9 p -75.65 120.34 20.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.31 84.26 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 164.18 35.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.236 . . . . 0.0 112.389 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -158.65 167.87 28.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t 69.14 42.27 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -94.79 138.65 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m 39.64 42.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.98 78.87 0.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -159.5 163.12 35.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 110.801 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 p -95.45 -47.29 6.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.88 -41.7 2.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.53 164.45 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.45 152.16 22.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -103.72 108.85 20.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -120.2 132.47 55.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m -91.72 173.16 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.48 57.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -45.52 -55.86 5.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.54 -51.41 65.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.72 -55.59 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.7 m -61.02 -47.43 86.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mt -48.87 -42.16 35.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 22' ' ' ALA . 70.4 t80 -59.26 -67.33 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' PHE . 44.7 mt-10 -35.5 -60.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.71 -34.67 71.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -56.47 -49.89 73.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.27 -19.52 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -85.32 -38.87 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -81.59 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 11.7 m-85 -80.85 -64.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.77 -144.44 18.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -76.06 48.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.54 66.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CE2' ' CD1' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -43.98 -39.7 4.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -47.1 -58.67 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.5 -57.92 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG22 ' CB ' ' A' ' 37' ' ' PHE . 25.4 mt -49.5 -69.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 26.7 ttp85 -46.55 -21.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -69.55 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.66 -56.49 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.4 m-85 -39.96 -61.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 HD22 ' CZ2' ' A' ' 40' ' ' TRP . 7.4 mt -135.01 91.24 19.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.67 0.748 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.29 22.19 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 38.9 p90 -79.3 -43.61 23.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 51.3 mmtt -55.12 148.9 13.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -84.69 165.57 17.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -58.81 -64.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.6 m -64.64 -46.9 80.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -37.82 -49.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 60.3 mt -63.1 -38.82 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.564 ' CD1' ' CE2' ' A' ' 30' ' ' PHE . 82.1 mt -61.39 -55.49 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' ILE . 21.6 mt-10 -34.52 -49.3 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.512 ' CZ ' ' HE1' ' A' ' 52' ' ' MET . 17.4 t80 -54.14 -48.51 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 49' ' ' TYR . 33.0 t80 -34.22 -47.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' THR . 9.0 m-85 -76.43 -55.95 5.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.512 ' HE1' ' CZ ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -54.05 -14.55 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.466 ' CA ' ' HE2' ' A' ' 52' ' ' MET . 61.2 t90 -94.51 -47.4 6.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -92.36 -51.88 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' TYR . 1.3 m -63.65 -10.78 20.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 53' ' ' TRP . 1.4 t -42.03 148.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.98 38.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.796 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -83.72 -49.36 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CE1' ' HA ' ' A' ' 62' ' ' GLN . 3.1 t80 -107.5 82.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.95 -28.14 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -129.27 39.16 3.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.422 ' HA ' ' CE1' ' A' ' 59' ' ' TYR . 31.7 tt0 69.84 40.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -64.42 -45.69 86.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 43.01 44.18 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.0 t -40.95 -59.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.86 171.16 12.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.721 2.28 . . . . 0.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -58.59 -45.51 88.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.3 t -56.13 114.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p -89.97 -61.54 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -49.01 106.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.55 59.03 0.36 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -102.63 116.4 32.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -156.5 133.72 10.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.59 -82.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 ptp -64.66 175.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -93.59 158.72 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -142.44 108.33 5.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -98.51 121.73 40.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.1 p -79.4 152.45 30.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.93 -52.59 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.3 p -58.21 -50.83 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -54.31 -55.29 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.86 -43.12 28.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.7 t -67.23 -46.7 73.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 12.0 mt -48.72 -42.88 36.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -53.38 -61.09 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -41.07 -60.21 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 11.9 pt-20 -59.97 -39.1 84.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.573 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -51.79 -40.43 60.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tp -73.6 -37.12 65.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.81 -36.12 79.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -84.59 -63.61 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 32' ' ' ASP . 4.8 m-85 -81.51 -68.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 118.46 -163.43 13.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.508 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -40.15 -25.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 27' ' ' GLY . 7.6 m-20 -61.86 108.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.564 ' CE2' HG12 ' A' ' 47' ' ' ILE . 4.6 m-85 -86.46 -32.65 20.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -54.49 -68.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 2.5 p30 -40.66 -49.24 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.435 HG23 ' CB ' ' A' ' 37' ' ' PHE . 39.8 mt -61.82 -70.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 23.4 ttt-85 -43.18 -24.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' ILE . 4.3 tp60 -64.59 -64.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 37' ' ' PHE . 8.1 m-20 -100.73 -62.37 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 12.2 m-85 -32.65 -66.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.523 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 8.1 mt -135.02 94.77 15.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.78 0.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.56 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 42.6 p90 -56.59 -48.91 76.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.56 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 36.3 mmtt -55.44 145.18 23.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 m -77.33 169.77 17.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 11.0 tp -70.26 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' ILE . 0.8 OUTLIER -62.25 -47.26 85.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 m -39.83 -44.06 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.64 -38.43 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.564 HG12 ' CE2' ' A' ' 30' ' ' PHE . 79.8 mt -57.24 -50.03 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.7 mt-10 -34.83 -51.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.47 -48.81 73.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' ILE . 18.3 t80 -44.15 -44.14 7.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -60.21 -59.78 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -53.4 -58.17 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.1 t90 -51.37 -24.64 4.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -89.27 -31.44 17.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -86.56 8.29 22.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -52.6 147.86 7.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.45 44.33 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.567 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 1.1 tpm_? -107.25 158.98 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 14.9 p90 34.6 43.95 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 61' ' ' GLN . 14.5 p -107.66 147.73 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.44 ' N ' HG23 ' A' ' 60' ' ' VAL . 14.1 pt20 -50.79 -44.75 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -88.79 42.65 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -42.7 -52.63 4.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -117.39 88.28 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -89.36 177.69 6.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -53.6 -179.96 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.544 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 105.18 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.4 t -99.22 108.96 21.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -47.96 97.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 p -131.77 144.28 50.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 110.88 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -173.85 160.06 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 115.74 97.86 2.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' GLY . 29.1 t -36.58 121.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -60.24 133.02 55.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.47 -100.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.0 mmm -80.86 163.84 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.714 0.293 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.87 137.14 51.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -107.87 125.19 51.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -96.35 133.98 40.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 t -84.89 145.24 27.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.74 -55.5 6.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.4 t -48.92 -61.71 1.91 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -48.29 -46.59 36.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.08 -47.09 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.31 -51.27 70.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mt -47.19 -36.44 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -60.28 -58.13 9.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -46.5 -56.12 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.49 -40.16 96.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 37' ' ' PHE . . . -50.43 -45.08 55.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 HD11 ' C ' ' A' ' 27' ' ' GLY . 9.9 tp -67.84 -40.08 83.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.3 -38.44 90.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -83.86 -63.08 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 4.1 m-85 -82.95 -64.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 103.02 -159.89 17.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 10.4 mtpt -36.18 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLY . 28.6 m-20 -59.0 87.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.589 ' CD2' ' CD1' ' A' ' 47' ' ' ILE . 3.3 m-85 -72.19 -36.63 69.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -48.94 -64.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 61.0 m-20 -45.36 -50.88 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.459 HG23 ' CB ' ' A' ' 37' ' ' PHE . 20.2 mt -55.97 -72.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 40.6 ttt180 -44.88 -25.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -63.9 -64.29 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -102.92 -61.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.57 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 13.8 m-85 -34.14 -63.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.565 HD22 ' CZ2' ' A' ' 40' ' ' TRP . 7.4 mt -135.07 94.38 16.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.94 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.607 2.205 . . . . 0.0 112.29 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.565 ' CZ2' HD22 ' A' ' 38' ' ' LEU . 40.4 p90 -60.76 -42.07 96.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 39.4 mmtm -59.55 157.91 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -88.72 179.26 6.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 2.4 tm? -77.81 -56.18 4.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' ILE . 12.9 m -71.09 -45.78 63.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 m -39.78 -47.87 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 65.7 mt -63.12 -35.16 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.589 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 85.9 mt -63.68 -56.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ILE . 28.5 mt-10 -35.02 -44.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -57.36 -51.14 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.968 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ILE . 38.8 t80 -44.09 -59.15 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.417 ' CE2' HG21 ' A' ' 47' ' ' ILE . 29.1 m-85 -44.97 -62.82 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.4 ttp -50.12 -55.83 13.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.9 t90 -49.29 -28.77 5.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -83.44 -48.8 9.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.5 p -81.14 15.28 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -175.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.31 36.95 11.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -55.04 131.94 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.467 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 31.2 t80 46.33 41.75 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.3 p -39.89 138.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -94.45 161.64 14.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.22 41.93 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -90.4 163.25 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -112.09 41.03 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' GLY . 6.9 t -105.8 159.36 16.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -36.84 155.87 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.515 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.68 4.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.727 2.285 . . . . 0.0 112.278 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -53.12 128.64 28.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.797 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -127.06 -60.31 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m 39.0 42.25 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.903 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -167.71 149.99 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.16 -136.51 4.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -128.16 -50.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.822 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -48.1 151.87 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.48 138.0 9.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.0 mtt -97.75 175.47 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.702 0.287 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 143.73 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -129.62 105.24 7.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -109.19 167.11 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' ALA . 10.3 m -123.1 155.93 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.788 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -38.08 -61.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -43.57 -51.89 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.55 -55.2 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.49 -61.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.1 t -49.93 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' PHE . 6.4 mt -38.17 -61.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 40.8 t80 -37.07 -64.64 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -42.32 -46.4 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -65.4 -50.16 66.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -43.29 -57.78 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tp -52.99 -24.8 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -87.8 -35.86 17.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -78.57 -63.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -81.54 -63.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.01 -145.1 15.55 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -75.98 48.48 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.39 90.04 2.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' CE2' ' CD1' ' A' ' 47' ' ' ILE . 1.1 m-85 -64.01 -40.82 97.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -45.09 -69.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -43.56 -54.22 5.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.449 HG22 ' CB ' ' A' ' 37' ' ' PHE . 65.8 mt -51.93 -65.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' NE ' ' HA ' ' A' ' 42' ' ' SER . 49.3 ttt180 -48.13 -20.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.69 -63.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.49 -60.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.449 ' CB ' HG22 ' A' ' 33' ' ' ILE . 7.6 m-85 -36.27 -62.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.566 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 7.7 mt -134.98 93.32 17.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.76 -37.44 9.16 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.65 2.233 . . . . 0.0 112.309 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.566 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 38.9 p90 -70.84 -40.62 72.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 4.2 mmpt? -56.62 161.41 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.429 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 8.7 m -102.1 163.79 12.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 1.1 tm? -56.12 -57.55 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.9 m -72.7 -47.85 43.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.4 m -37.64 -48.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.5 mt -64.25 -38.97 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.616 ' CD1' ' CE2' ' A' ' 30' ' ' PHE . 91.6 mt -61.11 -52.47 61.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' ILE . 7.7 mt-10 -35.09 -53.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -46.36 -47.73 18.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.403 ' N ' ' O ' ' A' ' 47' ' ' ILE . 90.7 t80 -47.6 -54.03 12.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.495 ' O ' ' CG2' ' A' ' 55' ' ' THR . 19.2 m-85 -43.45 -43.86 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -75.94 -31.41 59.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -67.19 -41.4 85.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -75.03 -31.69 61.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 51' ' ' TYR . 76.0 p -67.22 -44.61 79.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.8 p -47.41 139.17 6.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.09 46.3 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -91.91 88.13 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.5 t80 66.21 42.92 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.0 p -39.57 -39.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -50.68 101.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -38.31 151.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -90.96 144.01 26.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.08 89.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -112.04 160.06 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -135.38 83.36 0.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 129.31 17.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.3 p -74.97 158.93 32.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.4 p -45.92 112.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.479 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -72.36 174.3 7.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.807 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -93.96 -58.08 2.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.33 177.37 26.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 m -100.82 42.16 1.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -113.97 135.97 53.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.08 -108.46 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.443 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -59.02 110.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.729 0.3 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -93.13 141.34 28.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -126.94 109.45 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -78.38 114.24 17.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.4 m -68.55 144.8 54.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.02 -53.62 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.03 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.6 m -50.31 -55.13 16.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -57.17 -53.23 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.24 32.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.5 m -59.07 -43.16 91.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 2.9 mt -57.35 -44.73 84.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 22' ' ' ALA . 66.7 t80 -54.26 -66.58 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' PHE . 43.8 mt-10 -35.03 -61.76 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 8.3 pt-20 -58.68 -34.73 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -55.55 -36.37 66.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.478 HD23 ' CE1' ' A' ' 50' ' ' TYR . 9.5 tp -77.66 -30.24 51.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -77.41 -34.12 54.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -87.31 -63.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 3.2 m-85 -78.28 -65.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.11 -148.79 18.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -75.51 49.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ASN . 0.9 OUTLIER -124.77 56.34 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 47' ' ' ILE . 1.4 m-85 -34.49 -32.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ASP . 1.9 p30 -59.87 -62.78 1.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -50.19 -33.43 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.433 HG23 ' CB ' ' A' ' 37' ' ' PHE . 35.7 mt -74.52 -72.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 25.8 ttt180 -44.79 -23.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -67.0 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.2 m-20 -102.56 -60.36 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 5.8 m-85 -36.53 -62.5 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.988 0.423 . . . . 0.0 110.982 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.536 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 7.0 mt -134.69 93.17 18.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.645 0.736 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -27.68 26.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.536 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 39.9 p90 -82.21 -42.55 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 23.5 mmtt -54.57 154.17 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.9 m -92.33 149.06 21.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -62.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.2 m -62.11 -54.07 46.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' THR . 31.2 t -37.63 -54.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 21.1 mt -55.73 -35.53 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.563 HD13 ' CE2' ' A' ' 30' ' ' PHE . 50.2 mt -64.88 -53.15 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.4 mt-10 -35.19 -49.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.34 -45.63 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.478 ' CE1' HD23 ' A' ' 23' ' ' LEU . 63.2 t80 -43.24 -57.83 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.485 ' O ' ' CG2' ' A' ' 55' ' ' THR . 39.3 m-85 -46.47 -51.82 14.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.15 -25.15 68.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -79.59 -38.98 32.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -22.82 38.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 51' ' ' TYR . 67.5 p -81.02 6.52 13.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.8 p -75.92 146.79 39.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.175 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -37.65 -53.41 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -48.92 154.82 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 72.43 55.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.2 p -142.71 145.33 23.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -94.82 150.82 19.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -70.03 179.32 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.14 44.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -108.62 -53.14 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -122.21 97.23 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.43 176.04 45.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.62 119.71 6.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.387 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.9 m -87.5 -58.03 2.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.824 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.2 p -115.2 168.17 10.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -89.04 119.64 29.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.786 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m 50.67 42.16 26.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.793 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.78 -90.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -169.66 157.34 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.951 0.405 . . . . 0.0 110.83 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -64.58 98.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.43 -62.71 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -115.51 167.0 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.724 0.297 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.75 165.79 11.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -167.2 120.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -107.72 170.72 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.5 m -128.45 172.5 11.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.82 -53.53 55.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 m -57.22 -55.14 38.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -54.05 -48.97 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.59 -61.82 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -47.13 -45.95 22.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 mt -51.58 -44.84 62.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.692 ' CD2' ' CE1' ' A' ' 49' ' ' TYR . 70.8 t80 -64.23 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' PHE . 2.5 mm-40 -37.18 -50.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.5 pt-20 -69.25 -33.6 73.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.54 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -57.88 -48.31 80.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.15 -23.59 67.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -86.25 -38.48 17.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -78.4 -63.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 32' ' ' ASP . 7.1 m-85 -81.44 -64.78 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.49 -146.87 16.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -77.1 47.28 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -126.11 74.6 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -48.32 -39.78 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -53.63 -56.53 16.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 7.5 t0 -50.7 -52.77 37.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.431 ' CG2' ' HB2' ' A' ' 37' ' ' PHE . 15.1 mt -58.88 -68.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 36.9 ttt-85 -45.13 -22.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 33' ' ' ILE . 18.7 tt0 -65.71 -64.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.6 m-20 -105.89 -57.79 2.0 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.54 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 5.4 m-85 -35.72 -65.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.561 HD22 ' CZ2' ' A' ' 40' ' ' TRP . 7.6 mt -135.07 92.93 17.69 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -25.6 28.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.738 2.292 . . . . 0.0 112.384 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.566 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 35.6 p90 -82.26 -40.72 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.566 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 26.6 mmtp -60.84 128.32 35.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 p -58.8 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' C ' HD11 ' A' ' 43' ' ' LEU . 1.6 tm? -82.39 -54.37 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ILE . 1.9 m -68.19 -48.26 65.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' THR . 9.4 t -37.58 -57.43 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 22.5 mt -51.5 -38.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 30' ' ' PHE . 72.7 mt -63.91 -57.08 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.6 mt-10 -36.47 -52.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.692 ' CE1' ' CD2' ' A' ' 19' ' ' PHE . 4.2 t80 -45.82 -44.3 14.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ILE . 91.6 t80 -47.71 -44.05 27.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -78.41 -44.37 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.463 ' CG ' ' HA ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -66.54 -16.96 64.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.553 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 53.0 t90 -86.72 -44.63 11.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -72.92 -36.03 67.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.0 p -66.67 -40.2 88.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -79.55 150.64 31.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 58' ' ' ARG . 1.1 m-20 -87.68 44.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -34.57 145.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.514 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 74.9 t80 59.8 54.01 4.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' GLN . 5.6 p -144.04 144.81 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' VAL . 44.4 mt-30 -34.48 119.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -174.97 158.82 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.08 139.76 27.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 61.62 49.41 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.9 m -119.13 85.19 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.68 175.75 44.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 145.98 58.62 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.641 2.228 . . . . 0.0 112.365 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -129.93 135.42 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 t -129.34 157.21 42.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.88 0.372 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.23 -53.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -57.82 -46.38 84.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.28 -48.21 81.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.65 -56.11 17.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.0 m -53.92 -44.29 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.02 -47.86 61.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.563 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 67.3 t80 -59.34 -62.49 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -40.47 -60.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.36 -28.05 64.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -65.04 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 27' ' ' GLY . 9.8 tp -70.83 -51.78 24.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.46 -33.86 70.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -82.63 -63.52 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.22 -66.09 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.537 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 120.87 -147.36 17.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -75.78 48.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.69 69.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CD2' HD11 ' A' ' 47' ' ' ILE . 2.2 m-85 -46.53 -33.31 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.89 -60.52 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -48.82 -40.19 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 ' CB ' ' A' ' 37' ' ' PHE . 22.7 mt -70.51 -67.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 48.3 ttt180 -47.25 -21.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -67.44 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.62 -60.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.3 m-85 -36.3 -62.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -134.97 93.16 17.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.631 0.729 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -45.31 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.367 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.2 p90 -62.87 -48.01 80.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 34.4 mmtt -53.89 156.31 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -92.7 167.83 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -64.13 -61.26 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.791 ' HA ' HD12 ' A' ' 47' ' ' ILE . 2.2 m -66.42 -48.78 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.9 m -39.87 -42.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.45 -36.15 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 44' ' ' THR . 58.2 mt -63.83 -52.75 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' ILE . 22.2 mt-10 -34.46 -55.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 50' ' ' TYR . 11.7 t80 -48.06 -51.48 24.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' TYR . 92.0 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.875 0.369 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.1 -62.4 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -38.74 -51.33 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.41 -58.92 4.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -37.23 -54.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.86 -55.56 31.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 10.0 mt -42.03 -46.04 4.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 47.2 t80 -59.82 -56.81 17.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -43.43 -54.47 4.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 11.4 pt-20 -64.12 -40.74 96.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -51.76 -58.9 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -43.92 -37.87 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -83.45 -29.33 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -69.63 -63.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -96.1 -64.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.59 -163.56 25.2 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 7.2 mmmm -46.87 -20.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.777 0.322 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.36 98.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CD2' HD11 ' A' ' 47' ' ' ILE . 4.7 m-85 -75.04 -25.55 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.77 -68.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -38.38 -48.18 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.588 HG23 ' CB ' ' A' ' 37' ' ' PHE . 16.8 mt -63.35 -66.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.17 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.8 ttp180 -47.61 -21.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -69.75 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' PHE . 5.0 m-20 -99.48 -62.34 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.588 ' CB ' HG23 ' A' ' 33' ' ' ILE . 9.7 m-85 -36.09 -63.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.639 HD13 ' HG3' ' A' ' 41' ' ' LYS . 9.3 mt -133.39 93.36 22.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.18 11.3 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.7 p90 -73.77 -44.1 57.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.639 ' HG3' HD13 ' A' ' 38' ' ' LEU . 24.1 mmmt -53.41 149.05 8.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 46' ' ' ILE . 1.8 m -80.9 -179.4 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.801 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' C ' HD13 ' A' ' 43' ' ' LEU . 2.2 tm? -77.4 -57.34 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.722 ' HA ' HD12 ' A' ' 47' ' ' ILE . 8.8 m -69.78 -48.33 59.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' THR . 4.6 t -37.79 -54.06 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 42' ' ' SER . 44.2 mt -55.63 -36.05 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 44' ' ' THR . 77.5 mt -63.02 -52.54 57.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ILE . 22.6 mt-10 -35.29 -50.43 0.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 7.9 t80 -48.3 -46.69 36.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' ILE . 55.6 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.62 -58.57 6.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.2 m -48.31 -58.09 5.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -54.64 -50.08 68.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.16 -44.79 22.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.0 t -64.31 -51.88 61.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -47.31 -41.83 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 30.7 t80 -56.99 -67.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' PHE . 21.2 mt-10 -34.54 -60.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.83 -34.98 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.699 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -55.87 -46.4 78.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.44 -27.04 64.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -81.73 -30.99 32.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -84.85 -63.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -76.88 -66.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.31 -145.71 16.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.429 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -75.73 48.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -133.15 74.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 47' ' ' ILE . 3.7 m-85 -47.72 -44.7 27.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.49 -61.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.67 -56.85 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.699 HG12 ' HB1' ' A' ' 22' ' ' ALA . 24.6 mt -52.3 -72.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 33.8 ttt-85 -45.2 -21.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' ILE . 10.6 tt0 -66.58 -64.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.0 m-20 -106.09 -56.77 2.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 9.6 m-85 -36.83 -67.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.583 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 9.2 mt -132.27 92.11 29.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.38 36.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.286 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.583 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 34.2 p90 -89.14 -42.8 11.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.5 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 17.6 mmtt -61.78 125.57 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 m -59.17 160.17 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 6.1 tp -59.91 -66.27 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.839 ' HA ' HD12 ' A' ' 47' ' ' ILE . 2.2 m -57.0 -49.45 75.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' THR . 31.2 t -38.24 -48.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.2 mt -63.34 -38.13 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 44' ' ' THR . 63.0 mt -60.23 -54.67 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ILE . 27.8 mt-10 -36.33 -53.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -48.18 -44.04 32.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' ILE . 26.0 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.945 0.402 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.66 -54.99 18.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -55.93 -55.31 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.65 -43.71 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.36 -56.37 15.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.97 -47.17 78.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mt -49.04 -35.78 16.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CE2' ' CD1' ' A' ' 49' ' ' TYR . 93.2 t80 -69.41 -62.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -37.83 -50.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.79 -31.32 68.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -61.0 -31.28 70.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 tp -82.68 -24.35 33.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -86.78 -32.13 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 26' ' ' TYR . 7.4 tmtm? -84.59 -63.66 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 2.8 m-85 -78.25 -59.39 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.02 -147.61 18.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.415 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -77.3 47.13 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.798 0.333 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -125.49 71.45 1.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.659 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.4 m-85 -51.2 -31.14 19.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -58.31 -58.03 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.516 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 6.4 t0 -52.16 -50.84 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.536 HG23 ' CB ' ' A' ' 37' ' ' PHE . 63.5 mt -53.75 -71.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.49 ' HB2' HD12 ' A' ' 46' ' ' ILE . 42.6 ttp85 -44.47 -22.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 33' ' ' ILE . 1.1 tp-100 -65.53 -63.95 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.1 m-20 -106.14 -57.88 1.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 8.1 m-85 -34.79 -67.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 mt -134.46 93.37 18.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.63 0.728 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -13.86 35.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.728 2.286 . . . . 0.0 112.394 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 38.5 p90 -101.97 38.42 1.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -137.73 157.15 47.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.5 m -93.7 168.43 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -64.34 -58.44 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.642 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -68.75 -49.64 57.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.9 m -37.6 -56.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.796 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.49 HD12 ' HB2' ' A' ' 34' ' ' ARG . 96.2 mt -55.59 -38.2 48.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.659 HD11 ' CD2' ' A' ' 30' ' ' PHE . 81.5 mt -61.01 -53.02 54.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ILE . 40.7 mt-10 -35.24 -49.32 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.511 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 7.5 t80 -50.79 -44.43 58.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 56.0 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.936 0.398 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.85 -50.75 71.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.8 p -54.85 -46.4 74.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -51.56 52.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.52 -46.48 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.7 t -62.42 -46.15 89.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.3 -41.77 72.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 42.9 t80 -56.84 -59.42 5.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -42.65 -59.98 1.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.41 -33.4 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -57.58 -42.04 82.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.14 -40.11 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.79 -40.55 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -81.5 -63.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 7.2 m-85 -84.5 -62.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.64 -152.8 19.18 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 6.3 tmtt? -40.64 -30.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -58.45 90.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 4.2 m-85 -72.08 -36.13 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -54.56 -61.09 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.559 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 73.0 m-20 -45.1 -45.42 11.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.678 HG23 ' CB ' ' A' ' 37' ' ' PHE . 19.6 mt -67.31 -68.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' NE ' HD23 ' A' ' 43' ' ' LEU . 20.9 ttp180 -44.46 -23.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -66.88 -64.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' PHE . 4.3 m-20 -102.79 -60.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.678 ' CB ' HG23 ' A' ' 33' ' ' ILE . 11.1 m-85 -35.87 -62.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mt -135.0 93.58 17.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -49.61 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.262 . . . . 0.0 112.322 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.1 p90 -58.42 -46.7 85.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 19.7 mmtm -56.64 151.58 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -86.13 178.45 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD23 ' NE ' ' A' ' 34' ' ' ARG . 1.2 tm? -74.62 -58.26 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.862 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -65.54 -48.85 71.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -38.15 -54.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -59.47 -34.13 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 44' ' ' THR . 74.8 mt -64.74 -53.0 47.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' ILE . 38.7 mt-10 -34.98 -47.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -62.47 -44.74 95.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' ILE . 12.0 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.17 -47.44 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -58.2 -56.78 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' OE1' ' CD2' ' A' ' 38' ' ' LEU . 15.9 mm-40 -55.26 -41.47 72.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.76 -58.08 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.1 m -48.11 -48.73 33.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.952 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.67 -53.91 33.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 36.6 t80 -46.58 -64.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -40.66 -63.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.96 -20.03 48.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.597 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -76.1 -38.05 57.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.87 -38.02 64.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.62 -32.57 71.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -83.26 -63.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 2.5 m-85 -72.98 -67.07 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.67 -141.91 14.85 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -79.4 44.48 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.37 81.8 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.847 ' CD2' HD11 ' A' ' 47' ' ' ILE . 2.8 m-85 -53.86 -36.25 62.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -60.12 -59.05 6.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.563 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 1.4 m-20 -44.67 -37.46 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.447 HG12 ' HB1' ' A' ' 22' ' ' ALA . 46.7 mt -77.03 -68.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 49.2 ttt-85 -48.18 -20.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -66.49 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -103.48 -62.08 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 6.9 m-85 -34.17 -63.92 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.587 HD13 ' HG3' ' A' ' 41' ' ' LYS . 6.8 mt -134.54 94.23 17.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -36.27 11.19 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 41' ' ' LYS . 42.4 p90 -70.8 -46.29 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HG3' HD13 ' A' ' 38' ' ' LEU . 30.1 mmtm -50.79 153.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.461 ' O ' HD12 ' A' ' 46' ' ' ILE . 5.6 m -88.9 166.88 13.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' C ' HD13 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -63.68 -59.16 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.554 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.3 m -68.72 -46.95 67.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.6 p -39.31 -44.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 21.3 mt -69.92 -37.3 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.847 HD11 ' CD2' ' A' ' 30' ' ' PHE . 97.1 mt -59.71 -55.69 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' ILE . 33.6 mt-10 -34.41 -57.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -41.21 -50.78 3.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.7 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.88 -56.17 1.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 t -59.46 -46.14 89.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -50.45 -52.86 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.29 -66.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' LEU . 32.5 m -41.81 -60.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.427 HD13 HD21 ' A' ' 38' ' ' LEU . 5.8 mt -35.38 -64.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' LEU . 27.6 t80 -36.92 -62.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -44.82 -40.23 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -73.6 -42.68 61.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.697 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -52.33 -41.38 62.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 27' ' ' GLY . 8.0 tp -68.55 -60.38 2.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -51.62 -37.17 48.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -76.6 -63.43 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.504 ' CZ ' ' OD1' ' A' ' 32' ' ' ASP . 4.2 m-85 -83.95 -62.22 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.499 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 118.94 -142.81 17.04 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.47 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -75.89 48.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.26 76.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.714 ' CD2' HD11 ' A' ' 47' ' ' ILE . 5.9 m-85 -58.43 -20.97 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -68.77 -61.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 6.9 t0 -52.49 -37.91 58.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.697 HG12 ' HB1' ' A' ' 22' ' ' ALA . 32.9 mt -68.56 -68.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -47.3 -21.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.416 ' OE1' ' CG ' ' A' ' 36' ' ' ASP . 1.4 tm0? -68.9 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.4 m-20 -100.03 -62.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.935 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 9.3 m-85 -35.68 -62.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD13 ' HG3' ' A' ' 41' ' ' LYS . 6.6 mt -135.02 93.67 16.98 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.685 0.755 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -37.04 9.67 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.625 2.216 . . . . 0.0 112.391 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.512 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 44.9 p90 -72.41 -45.11 61.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HG3' HD13 ' A' ' 38' ' ' LEU . 59.8 mmtt -52.05 151.93 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 m -85.15 178.16 7.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.504 ' C ' HD13 ' A' ' 43' ' ' LEU . 1.6 tm? -74.29 -57.17 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.533 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.6 m -71.81 -47.74 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -37.8 -53.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.2 mt -57.02 -34.86 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.224 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 30' ' ' PHE . 93.1 mt -66.74 -50.73 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.086 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ILE . 23.8 mt-10 -34.15 -47.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.55 -44.81 77.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 47' ' ' ILE . 50.7 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' ALA . 1.2 t . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.895 0.379 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -35.38 -60.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.6 m -43.98 -50.8 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.06 -52.9 60.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.8 -49.02 5.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 t -65.16 -45.64 84.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -48.99 -41.68 35.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 73.0 t80 -60.3 -64.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' PHE . 12.4 mt-10 -35.8 -56.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.9 pt-20 -63.7 -33.95 76.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -55.98 -49.33 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -63.25 -36.42 83.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.09 -40.78 82.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -78.65 -63.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.587 ' CE1' ' OD2' ' A' ' 32' ' ' ASP . 12.2 m-85 -87.43 -64.55 1.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 106.26 -155.68 16.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 12.9 mmmm -38.97 -26.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLY . 14.3 t0 -62.57 87.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 47' ' ' ILE . 3.9 m-85 -71.82 -36.22 70.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -51.94 -57.81 8.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.587 ' OD2' ' CE1' ' A' ' 26' ' ' TYR . 7.0 t0 -49.81 -50.06 46.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.655 HG23 ' CB ' ' A' ' 37' ' ' PHE . 18.6 mt -60.39 -69.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.23 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 21.1 ttt180 -45.22 -22.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -69.02 -64.01 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 37' ' ' PHE . 8.9 m-20 -101.77 -60.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.655 ' CB ' HG23 ' A' ' 33' ' ' ILE . 11.0 m-85 -36.06 -66.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.55 HD13 ' HG3' ' A' ' 41' ' ' LYS . 9.3 mt -132.3 93.22 26.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -29.96 22.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 35.9 p90 -77.45 -44.97 27.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 38' ' ' LEU . 16.0 mmtm -54.66 152.08 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.616 ' O ' HD12 ' A' ' 46' ' ' ILE . 31.5 m -84.12 174.5 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.744 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -71.0 -60.13 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.821 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.3 m -67.14 -48.55 67.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' THR . 85.7 p -37.77 -53.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 42' ' ' SER . 18.9 mt -57.56 -37.51 58.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 44' ' ' THR . 65.8 mt -61.62 -55.19 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 47' ' ' ILE . 36.2 mt-10 -36.2 -47.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 8.5 t80 -50.3 -44.85 54.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 47' ' ' ILE . 69.3 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.3 p . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.76 -54.3 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.4 p -54.71 -47.64 73.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -61.08 2.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.79 -63.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.52 -55.52 18.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' PHE . 8.4 mt -42.52 -62.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 41.9 t80 -36.16 -67.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -40.46 -45.62 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.95 -35.69 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.931 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -59.41 -43.08 93.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 27' ' ' GLY . 8.1 tp -68.06 -56.21 9.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -53.63 -37.19 62.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -77.61 -63.63 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 3.8 m-85 -79.77 -64.97 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 119.04 -141.62 16.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 48.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -133.95 79.06 1.8 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CD2' HD11 ' A' ' 47' ' ' ILE . 4.7 m-85 -55.28 -30.56 60.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -59.13 -63.02 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 76.1 m-20 -45.23 -43.58 10.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.931 HG12 ' HB1' ' A' ' 22' ' ' ALA . 38.4 mt -67.2 -71.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.468 ' HB2' HD12 ' A' ' 46' ' ' ILE . 53.7 ttt-85 -45.6 -21.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 33' ' ' ILE . 44.3 tt0 -67.38 -63.56 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.5 m-20 -103.44 -61.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 7.5 m-85 -35.54 -62.58 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.618 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.3 mt -134.99 93.61 17.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.569 0.7 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.45 3.38 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.473 ' NE1' ' HG2' ' A' ' 41' ' ' LYS . 43.8 p90 -67.24 -44.32 79.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.618 ' HG3' HD13 ' A' ' 38' ' ' LEU . 37.8 mmtt -49.95 159.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -92.39 174.5 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.36 -59.59 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.71 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.3 m -68.87 -48.28 63.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.5 m -38.25 -50.8 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.468 HD12 ' HB2' ' A' ' 34' ' ' ARG . 73.1 mt -60.48 -35.59 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 44' ' ' THR . 84.9 mt -63.39 -45.68 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -42.43 -46.54 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 4.1 t80 -54.62 -43.1 71.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 71.1 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.942 0.401 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.51 -62.66 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.7 m -56.83 -44.84 82.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -52.56 -49.35 65.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.56 -65.26 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.8 m -46.76 -55.52 7.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -36.75 -54.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -45.57 -63.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -42.99 -40.61 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' GLU . 4.2 mm-40 -69.63 -50.33 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.678 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -43.02 -53.65 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 27' ' ' GLY . 10.0 tp -58.06 -26.32 62.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.7 mm-40 -81.9 -42.83 18.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -76.28 -63.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -83.88 -68.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.443 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 125.6 -143.24 14.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -78.46 45.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.765 0.317 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' ASN . 5.1 m-20 -121.19 56.46 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 47' ' ' ILE . 5.4 m-85 -34.13 -33.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' ASP . 34.5 m-80 -61.05 -56.85 16.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -54.8 -36.67 65.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.678 HG12 ' HB1' ' A' ' 22' ' ' ALA . 15.3 mt -71.61 -69.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 32.7 ttt180 -46.49 -21.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.07 -64.24 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.94 -60.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.7 m-85 -33.34 -65.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.98 94.28 16.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.95 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.376 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.0 p90 -58.17 -49.31 77.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 15.8 mmtm -58.25 144.42 41.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -77.91 165.37 24.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 8.2 tt -66.79 -64.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.659 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -54.42 -51.14 65.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.5 m -41.48 -41.57 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.0 mt -68.43 -36.76 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 44' ' ' THR . 63.7 mt -62.84 -52.76 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ILE . 38.9 mt-10 -34.76 -59.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -43.83 -44.9 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' ILE . 28.9 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.901 0.381 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.65 -57.72 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m -47.9 -48.52 31.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.13 -41.04 97.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.22 -51.17 14.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.05 -50.46 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' PHE . 10.0 mt -44.63 -64.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 49' ' ' TYR . 42.4 t80 -34.93 -65.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -42.21 -46.76 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.71 -46.64 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.779 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -46.92 -58.16 4.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.171 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.559 HD21 ' CE1' ' A' ' 50' ' ' TYR . 9.1 tp -54.82 -35.71 64.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -66.33 -45.49 80.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -78.68 -63.62 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 10.9 m-85 -81.91 -66.86 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 104.84 -151.2 17.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.528 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 3.3 mmtp -39.24 -26.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.708 0.29 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' GLY . 4.2 m-20 -64.27 90.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 47' ' ' ILE . 3.4 m-85 -72.79 -35.05 67.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -56.77 -61.06 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -45.29 -40.65 7.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.779 HG12 ' HB1' ' A' ' 22' ' ' ALA . 18.4 mt -69.55 -73.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.431 ' NH1' ' HA ' ' A' ' 42' ' ' SER . 14.6 ttt85 -44.58 -25.7 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.8 -64.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.6 m-20 -103.01 -62.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.8 m-85 -33.18 -64.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.68 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.7 mt -135.03 94.75 15.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -36.28 11.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 41' ' ' LYS . 43.5 p90 -74.66 -44.3 51.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.68 ' HG3' HD13 ' A' ' 38' ' ' LEU . 30.9 mmtm -50.22 152.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.431 ' HA ' ' NH1' ' A' ' 34' ' ' ARG . 1.6 m -83.76 148.95 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.576 ' C ' HD13 ' A' ' 43' ' ' LEU . 2.7 tm? -55.41 -65.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 47' ' ' ILE . 22.5 m -59.32 -51.91 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' THR . 12.5 t -37.55 -52.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.3 mt -55.29 -36.92 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.642 HD11 ' CD2' ' A' ' 30' ' ' PHE . 80.5 mt -60.69 -58.16 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ILE . 63.0 mt-10 -34.53 -61.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -35.45 -47.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CE1' HD21 ' A' ' 23' ' ' LEU . 37.9 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.794 0.331 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.38 -60.28 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -48.83 -42.96 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.81 -50.56 66.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.24 -60.56 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.5 t -53.81 -47.6 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.607 HD13 HD21 ' A' ' 38' ' ' LEU . 5.2 mt -48.4 -38.73 20.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE2' ' CD1' ' A' ' 49' ' ' TYR . 84.4 t80 -66.63 -64.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' PHE . 25.6 mt-10 -37.75 -48.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.5 pt-20 -70.53 -33.22 70.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.564 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -58.97 -37.43 76.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.18 -33.7 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.93 -24.79 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -83.42 -63.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 10.9 m-85 -89.63 -62.7 1.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.29 -147.31 16.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -76.88 49.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' PHE . 7.6 t0 -126.96 60.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.519 ' CE2' HG12 ' A' ' 47' ' ' ILE . 1.6 m-85 -34.69 -38.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -54.96 -66.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -43.81 -37.83 2.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.558 HG23 ' CB ' ' A' ' 37' ' ' PHE . 17.2 mt -73.46 -72.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 39.1 ttt-85 -41.32 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' ILE . 56.8 tt0 -64.94 -64.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' PHE . 4.9 m-20 -102.55 -61.78 1.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 8.5 m-85 -34.03 -63.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 18' ' ' LEU . 8.0 mt -135.06 94.32 16.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -44.69 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.65 2.233 . . . . 0.0 112.452 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.488 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 41.4 p90 -62.32 -48.51 79.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.488 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 33.4 mmtt -53.73 155.1 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -91.61 161.63 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 9.8 tp -61.29 -64.86 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.855 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.2 m -60.06 -45.3 93.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.5 p -44.47 -45.21 9.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.81 -33.03 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' A' ' 44' ' ' THR . 68.1 mt -63.39 -58.65 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ILE . 26.7 mt-10 -34.45 -49.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 11.8 t80 -48.69 -48.25 40.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' ILE . 53.4 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.03 -53.45 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.1 p -53.49 -47.47 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.496 ' OE1' ' CD2' ' A' ' 38' ' ' LEU . 44.3 mm-40 -58.95 -43.99 91.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.66 -55.92 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 m -50.21 -50.94 47.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mt -48.47 -41.48 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 41.0 t80 -58.33 -63.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -38.46 -59.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.19 -32.23 72.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -58.76 -25.61 63.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 23' ' ' LEU . 10.0 tp -84.9 -47.32 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.52 -36.28 80.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -80.78 -63.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 3.4 m-85 -84.81 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 108.47 -161.17 13.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -37.35 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 27' ' ' GLY . 8.0 t0 -57.26 93.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.618 ' CD2' HD11 ' A' ' 47' ' ' ILE . 5.9 m-85 -74.72 -36.42 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -57.07 -61.88 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.475 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -42.45 -48.67 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.572 HG23 ' CB ' ' A' ' 37' ' ' PHE . 19.1 mt -63.96 -72.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 37.4 ttt180 -42.61 -24.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ILE . 12.7 tt0 -64.15 -64.26 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.8 m-20 -103.1 -61.38 1.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CB ' HG23 ' A' ' 33' ' ' ILE . 12.9 m-85 -33.24 -67.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.496 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 8.8 mt -132.86 94.52 20.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -41.58 4.25 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.371 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 41.2 p90 -67.68 -46.14 73.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 30.5 mmtm -54.96 139.02 42.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -70.11 164.58 23.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 9.3 tp -69.38 -64.79 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.703 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -59.7 -47.51 85.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 t -41.43 -42.94 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mt -71.79 -30.41 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 44' ' ' THR . 75.5 mt -64.02 -56.86 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -43.7 -35.19 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -64.89 -36.74 85.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.938 0.399 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.24 -54.15 40.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.1 m -48.2 -63.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -54.15 -42.7 69.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.67 -52.33 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.5 m -60.44 -54.15 48.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -39.42 -53.52 2.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 69.5 t80 -46.32 -59.1 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.812 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.12 -43.61 20.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.26 -47.65 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -47.16 -60.3 2.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 tp -41.17 -39.72 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -43.99 65.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -74.08 -63.78 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.954 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -89.72 -68.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 119.92 -167.62 13.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.512 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 9.7 tmtt? -35.99 -31.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLY . 3.0 m-20 -61.79 89.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.881 ' HA ' HD12 ' A' ' 33' ' ' ILE . 5.5 m-85 -74.16 -33.04 63.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -44.64 -53.26 7.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -65.1 -31.27 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' A' ' 30' ' ' PHE . 44.6 mt -71.24 -66.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HD3' ' C ' ' A' ' 42' ' ' SER . 27.2 ttp180 -48.15 -20.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.5 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.3 m-20 -102.4 -62.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.46 ' CB ' HG23 ' A' ' 33' ' ' ILE . 7.8 m-85 -34.89 -62.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.96 94.08 16.67 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.642 0.734 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 53.8 Cg_endo -69.76 -46.94 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.391 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.8 p90 -58.21 -46.77 85.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 23.1 mmtm -52.26 154.52 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.571 ' O ' HD12 ' A' ' 46' ' ' ILE . 1.8 m -92.26 -179.34 5.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' C ' HD13 ' A' ' 43' ' ' LEU . 2.3 tm? -72.63 -57.31 4.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.551 HG23 HD12 ' A' ' 47' ' ' ILE . 1.1 m -76.27 -39.83 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.2 t -43.84 -36.76 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 42' ' ' SER . 18.1 mt -80.53 -26.26 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 30' ' ' PHE . 65.8 mt -62.83 -52.37 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -45.24 -48.81 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 21.5 t80 -51.25 -47.53 62.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.872 0.368 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.48 57.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -45.52 -55.86 5.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.54 -51.41 65.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.72 -55.59 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.7 m -61.02 -47.43 86.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mt -48.87 -42.16 35.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.519 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 70.4 t80 -59.26 -67.33 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' PHE . 44.7 mt-10 -35.5 -60.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.71 -34.67 71.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -56.47 -49.89 73.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 27' ' ' GLY . 10.1 tp -65.27 -19.52 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -85.32 -38.87 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -81.59 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 11.7 m-85 -80.85 -64.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.421 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 116.77 -144.44 18.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -76.06 48.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.54 66.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.734 ' CD2' HD11 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -43.98 -39.7 4.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -47.1 -58.67 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.5 -57.92 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.646 HG23 ' CB ' ' A' ' 37' ' ' PHE . 25.4 mt -49.5 -69.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HB2' HD12 ' A' ' 46' ' ' ILE . 26.7 ttp85 -46.55 -21.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -69.55 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.66 -56.49 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.646 ' CB ' HG23 ' A' ' 33' ' ' ILE . 7.4 m-85 -39.96 -61.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.4 mt -135.01 91.24 19.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.67 0.748 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.29 22.19 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 38.9 p90 -79.3 -43.61 23.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HG3' HD13 ' A' ' 38' ' ' LEU . 51.3 mmtt -55.12 148.9 13.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -84.69 165.57 17.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.44 ' C ' HD13 ' A' ' 43' ' ' LEU . 1.2 tm? -58.81 -64.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.553 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.6 m -64.64 -46.9 80.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -37.82 -49.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 34' ' ' ARG . 60.3 mt -63.1 -38.82 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.734 HD11 ' CD2' ' A' ' 30' ' ' PHE . 82.1 mt -61.39 -55.49 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' ILE . 21.6 mt-10 -34.52 -49.3 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.4 t80 -54.14 -48.51 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 49' ' ' TYR . 33.0 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.87 0.366 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.93 -52.59 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.3 p -58.21 -50.83 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -54.31 -55.29 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.86 -43.12 28.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.7 t -67.23 -46.7 73.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 12.0 mt -48.72 -42.88 36.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 33.8 t80 -53.38 -61.09 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -41.07 -60.21 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 11.9 pt-20 -59.97 -39.1 84.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -51.79 -40.43 60.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tp -73.6 -37.12 65.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.81 -36.12 79.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -84.59 -63.61 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 32' ' ' ASP . 4.8 m-85 -81.51 -68.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 118.46 -163.43 13.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.508 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -40.15 -25.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.561 ' O ' HD12 ' A' ' 33' ' ' ILE . 7.6 m-20 -61.86 108.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' HG12 ' A' ' 47' ' ' ILE . 4.6 m-85 -86.46 -32.65 20.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -54.49 -68.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 2.5 p30 -40.66 -49.24 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.606 HG23 ' CB ' ' A' ' 37' ' ' PHE . 39.8 mt -61.82 -70.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 23.4 ttt-85 -43.18 -24.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' ILE . 2.6 tp-100 -64.59 -64.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 37' ' ' PHE . 8.1 m-20 -100.73 -62.37 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CB ' HG23 ' A' ' 33' ' ' ILE . 12.2 m-85 -32.65 -66.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.4 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 8.1 mt -135.02 94.77 15.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.78 0.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 42.6 p90 -56.59 -48.91 76.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 36.3 mmtt -55.44 145.18 23.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 m -77.33 169.77 17.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 11.0 tp -70.26 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.789 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -62.25 -47.26 85.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 m -39.83 -44.06 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.64 -38.43 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 44' ' ' THR . 79.8 mt -57.24 -50.03 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.7 mt-10 -34.83 -51.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.47 -48.81 73.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' ILE . 18.3 t80 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . -45.74 -55.5 6.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.4 t -48.92 -61.71 1.91 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' OE1' HD12 ' A' ' 18' ' ' LEU . 27.3 mm-40 -48.29 -46.59 36.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -41.08 -47.09 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.31 -51.27 70.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD12 ' OE1' ' A' ' 15' ' ' GLU . 10.5 mt -47.19 -36.44 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -60.28 -58.13 9.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -46.5 -56.12 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.49 -40.16 96.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -50.43 -45.08 55.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 tp -67.84 -40.08 83.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.3 -38.44 90.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -83.86 -63.08 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 4.1 m-85 -82.95 -64.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 103.02 -159.89 17.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 10.4 mtpt -36.18 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLY . 28.6 m-20 -59.0 87.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.752 ' CD2' HD11 ' A' ' 47' ' ' ILE . 3.3 m-85 -72.19 -36.63 69.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -48.94 -64.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 61.0 m-20 -45.36 -50.88 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 30' ' ' PHE . 20.2 mt -55.97 -72.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.558 ' HB2' HD12 ' A' ' 46' ' ' ILE . 40.6 ttt180 -44.88 -25.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -63.9 -64.29 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -102.92 -61.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 13.8 m-85 -34.14 -63.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mt -135.07 94.38 16.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.94 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.607 2.205 . . . . 0.0 112.29 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 40.4 p90 -60.76 -42.07 96.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 39.4 mmtm -59.55 157.91 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -88.72 179.26 6.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.499 ' C ' HD13 ' A' ' 43' ' ' LEU . 2.4 tm? -77.81 -56.18 4.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.541 ' HA ' HD12 ' A' ' 47' ' ' ILE . 12.9 m -71.09 -45.78 63.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 m -39.78 -47.87 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 34' ' ' ARG . 65.7 mt -63.12 -35.16 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.752 HD11 ' CD2' ' A' ' 30' ' ' PHE . 85.9 mt -63.68 -56.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ILE . 28.5 mt-10 -35.02 -44.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -57.36 -51.14 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.968 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ILE . 38.8 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' ALA . 10.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.899 0.381 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -38.08 -61.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -43.57 -51.89 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.55 -55.2 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.49 -61.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.1 t -49.93 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' PHE . 6.4 mt -38.17 -61.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 40.8 t80 -37.07 -64.64 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -42.32 -46.4 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -65.4 -50.16 66.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -43.29 -57.78 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tp -52.99 -24.8 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -87.8 -35.86 17.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -78.57 -63.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -81.54 -63.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.01 -145.1 15.55 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -75.98 48.48 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.39 90.04 2.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.843 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.1 m-85 -64.01 -40.82 97.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -45.09 -69.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -43.56 -54.22 5.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 ' CB ' ' A' ' 37' ' ' PHE . 65.8 mt -51.93 -65.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 42' ' ' SER . 49.3 ttt180 -48.13 -20.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.69 -63.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.49 -60.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CB ' HG23 ' A' ' 33' ' ' ILE . 7.6 m-85 -36.27 -62.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.576 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.7 mt -134.98 93.32 17.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -37.44 9.16 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.65 2.233 . . . . 0.0 112.309 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 38.9 p90 -70.84 -40.62 72.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.576 ' HG3' HD13 ' A' ' 38' ' ' LEU . 4.2 mmpt? -56.62 161.41 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.441 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 8.7 m -102.1 163.79 12.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' C ' HD13 ' A' ' 43' ' ' LEU . 1.1 tm? -56.12 -57.55 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.548 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.9 m -72.7 -47.85 43.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.4 m -37.64 -48.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.5 mt -64.25 -38.97 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.843 HD11 ' CD2' ' A' ' 30' ' ' PHE . 91.6 mt -61.11 -52.47 61.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' ILE . 7.7 mt-10 -35.09 -53.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -46.36 -47.73 18.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.02 -53.62 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.03 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.6 m -50.31 -55.13 16.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -57.17 -53.23 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.24 32.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.5 m -59.07 -43.16 91.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 2.9 mt -57.35 -44.73 84.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.536 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 66.7 t80 -54.26 -66.58 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' PHE . 43.8 mt-10 -35.03 -61.76 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 8.3 pt-20 -58.68 -34.73 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -55.55 -36.37 66.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD21 ' CE1' ' A' ' 50' ' ' TYR . 9.5 tp -77.66 -30.24 51.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -77.41 -34.12 54.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -87.31 -63.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 3.2 m-85 -78.28 -65.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.11 -148.79 18.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -75.51 49.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ASN . 0.9 OUTLIER -124.77 56.34 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.4 m-85 -34.49 -32.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ASP . 1.9 p30 -59.87 -62.78 1.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -50.19 -33.43 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.467 HG23 ' CB ' ' A' ' 37' ' ' PHE . 35.7 mt -74.52 -72.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 25.8 ttt180 -44.79 -23.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -67.0 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.2 m-20 -102.56 -60.36 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.542 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 5.8 m-85 -36.53 -62.5 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.988 0.423 . . . . 0.0 110.982 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.677 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.0 mt -134.69 93.17 18.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.645 0.736 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -27.68 26.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.494 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.9 p90 -82.21 -42.55 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.677 ' HG3' HD13 ' A' ' 38' ' ' LEU . 23.5 mmtt -54.57 154.17 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.9 m -92.33 149.06 21.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -62.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.965 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.2 m -62.11 -54.07 46.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' THR . 31.2 t -37.63 -54.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 21.1 mt -55.73 -35.53 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.965 HD12 ' HA ' ' A' ' 44' ' ' THR . 50.2 mt -64.88 -53.15 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.4 mt-10 -35.19 -49.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.34 -45.63 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CE1' HD21 ' A' ' 23' ' ' LEU . 63.2 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.82 -53.53 55.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 m -57.22 -55.14 38.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -54.05 -48.97 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.59 -61.82 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -47.13 -45.95 22.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 HD21 ' A' ' 38' ' ' LEU . 9.5 mt -51.58 -44.84 62.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.692 ' CD2' ' CE1' ' A' ' 49' ' ' TYR . 70.8 t80 -64.23 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' PHE . 2.5 mm-40 -37.18 -50.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.5 pt-20 -69.25 -33.6 73.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.65 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -57.88 -48.31 80.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 27' ' ' GLY . 10.8 tp -63.15 -23.59 67.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -86.25 -38.48 17.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -78.4 -63.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 32' ' ' ASP . 7.1 m-85 -81.44 -64.78 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 122.49 -146.87 16.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -77.1 47.28 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -126.11 74.6 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.694 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -48.32 -39.78 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -53.63 -56.53 16.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 7.5 t0 -50.7 -52.77 37.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.65 HG12 ' HB1' ' A' ' 22' ' ' ALA . 15.1 mt -58.88 -68.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 36.9 ttt-85 -45.13 -22.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 33' ' ' ILE . 18.7 tt0 -65.71 -64.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.6 m-20 -105.89 -57.79 2.0 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.647 ' CB ' HG23 ' A' ' 33' ' ' ILE . 5.4 m-85 -35.72 -65.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.605 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.6 mt -135.07 92.93 17.69 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -25.6 28.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.738 2.292 . . . . 0.0 112.384 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.592 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 35.6 p90 -82.26 -40.72 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HG3' HD13 ' A' ' 38' ' ' LEU . 26.6 mmtp -60.84 128.32 35.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' HD12 ' A' ' 46' ' ' ILE . 3.4 p -58.8 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 43' ' ' LEU . 1.6 tm? -82.39 -54.37 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.66 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.9 m -68.19 -48.26 65.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' THR . 9.4 t -37.58 -57.43 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 42' ' ' SER . 22.5 mt -51.5 -38.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.694 HD11 ' CD2' ' A' ' 30' ' ' PHE . 72.7 mt -63.91 -57.08 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.6 mt-10 -36.47 -52.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.692 ' CE1' ' CD2' ' A' ' 19' ' ' PHE . 4.2 t80 -45.82 -44.3 14.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ILE . 91.6 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -140.67 168.75 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -137.85 157.74 45.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.07 123.58 1.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -51.8 103.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -159.72 154.95 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.34 -118.27 9.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.557 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -134.11 130.21 37.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -44.04 138.52 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -137.36 106.22 5.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -91.24 174.83 7.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -116.82 147.73 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.23 -53.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -57.82 -46.38 84.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.28 -48.21 81.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.65 -56.11 17.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.0 m -53.92 -44.29 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.02 -47.86 61.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.563 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 67.3 t80 -59.34 -62.49 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -40.47 -60.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.36 -28.05 64.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -65.04 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 27' ' ' GLY . 9.8 tp -70.83 -51.78 24.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.46 -33.86 70.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -82.63 -63.52 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.22 -66.09 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.537 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 120.87 -147.36 17.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -75.78 48.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.69 69.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CD2' HD11 ' A' ' 47' ' ' ILE . 2.2 m-85 -46.53 -33.31 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.89 -60.52 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -48.82 -40.19 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 ' CB ' ' A' ' 37' ' ' PHE . 22.7 mt -70.51 -67.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 48.3 ttt180 -47.25 -21.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -67.44 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.62 -60.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.3 m-85 -36.3 -62.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -134.97 93.16 17.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.631 0.729 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -45.31 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.367 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.2 p90 -62.87 -48.01 80.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 34.4 mmtt -53.89 156.31 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -92.7 167.83 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -64.13 -61.26 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.791 ' HA ' HD12 ' A' ' 47' ' ' ILE . 2.2 m -66.42 -48.78 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.9 m -39.87 -42.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.45 -36.15 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 44' ' ' THR . 58.2 mt -63.83 -52.75 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' ILE . 22.2 mt-10 -34.46 -55.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 50' ' ' TYR . 11.7 t80 -48.06 -51.48 24.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' TYR . 92.0 t80 -34.46 -50.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -57.48 -53.23 60.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -56.78 -30.09 63.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -75.02 -43.67 52.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -26.01 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.6 p -88.52 14.68 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.5 p -66.41 -176.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.7 t0 67.69 32.93 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' TYR . 10.4 mmm180 -96.84 100.38 11.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 34.41 52.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.7 p -81.33 -31.6 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -94.11 162.5 13.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -86.62 158.14 19.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -67.09 154.99 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -152.13 149.46 28.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.9 p -79.94 156.5 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.3 -158.44 10.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 -19.53 36.28 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.3 m 48.09 43.1 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -88.64 124.57 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -92.56 146.09 23.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.954 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -100.6 99.39 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.65 -145.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -130.06 -44.11 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 p -155.09 130.65 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.07 167.93 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 tpt -109.29 93.93 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -133.16 117.55 17.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -113.53 117.68 32.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' CH2' ' CE ' ' A' ' 41' ' ' LYS . 17.1 m95 -112.47 118.09 34.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 t -80.36 150.85 29.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.1 -62.4 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -38.74 -51.33 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.41 -58.92 4.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -37.23 -54.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.86 -55.56 31.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 10.0 mt -42.03 -46.04 4.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 47.2 t80 -59.82 -56.81 17.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -43.43 -54.47 4.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 11.4 pt-20 -64.12 -40.74 96.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -51.76 -58.9 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -43.92 -37.87 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -83.45 -29.33 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -69.63 -63.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -96.1 -64.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.59 -163.56 25.2 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 7.2 mmmm -46.87 -20.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.777 0.322 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.36 98.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CD2' HD11 ' A' ' 47' ' ' ILE . 4.7 m-85 -75.04 -25.55 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.77 -68.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -38.38 -48.18 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.588 HG23 ' CB ' ' A' ' 37' ' ' PHE . 16.8 mt -63.35 -66.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.17 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.8 ttp180 -47.61 -21.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -69.75 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' PHE . 5.0 m-20 -99.48 -62.34 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.588 ' CB ' HG23 ' A' ' 33' ' ' ILE . 9.7 m-85 -36.09 -63.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.639 HD13 ' HG3' ' A' ' 41' ' ' LYS . 9.3 mt -133.39 93.36 22.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.18 11.3 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.7 p90 -73.77 -44.1 57.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.639 ' HG3' HD13 ' A' ' 38' ' ' LEU . 24.1 mmmt -53.41 149.05 8.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 46' ' ' ILE . 1.8 m -80.9 -179.4 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.801 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' C ' HD13 ' A' ' 43' ' ' LEU . 2.2 tm? -77.4 -57.34 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.722 ' HA ' HD12 ' A' ' 47' ' ' ILE . 8.8 m -69.78 -48.33 59.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' THR . 4.6 t -37.79 -54.06 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 42' ' ' SER . 44.2 mt -55.63 -36.05 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 44' ' ' THR . 77.5 mt -63.02 -52.54 57.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ILE . 22.6 mt-10 -35.29 -50.43 0.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 7.9 t80 -48.3 -46.69 36.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' ILE . 55.6 t80 -42.56 -58.23 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -45.61 -65.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' THR . 21.4 ttp -48.56 -63.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -41.89 -35.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -74.33 -38.85 63.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' MET . 71.6 p -64.4 -44.7 90.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.1 p -40.73 160.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.31 46.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.795 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.21 -61.23 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -126.9 88.74 2.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.2 p -151.24 134.86 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 56.6 41.82 27.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -64.55 109.44 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 9.3 tppt? -40.55 118.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -127.38 155.06 44.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -64.71 106.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.33 151.39 6.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 166.36 27.93 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.0 p -121.53 -35.98 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -53.71 120.5 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.471 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -69.03 167.43 15.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -51.61 175.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.96 97.84 2.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.7 p -81.21 42.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.782 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -102.48 151.96 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.56 148.07 31.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.0 tpt -101.2 82.16 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -54.25 123.54 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -95.3 124.86 39.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -89.89 166.11 13.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.8 t -112.5 160.12 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.62 -58.57 6.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.2 m -48.31 -58.09 5.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -54.64 -50.08 68.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.16 -44.79 22.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.0 t -64.31 -51.88 61.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -47.31 -41.83 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 30.7 t80 -56.99 -67.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' PHE . 21.2 mt-10 -34.54 -60.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.83 -34.98 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.699 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -55.87 -46.4 78.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.44 -27.04 64.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -81.73 -30.99 32.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -84.85 -63.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -76.88 -66.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.31 -145.71 16.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.429 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -75.73 48.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -133.15 74.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 47' ' ' ILE . 3.7 m-85 -47.72 -44.7 27.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.49 -61.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.67 -56.85 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.699 HG12 ' HB1' ' A' ' 22' ' ' ALA . 24.6 mt -52.3 -72.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 33.8 ttt-85 -45.2 -21.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' ILE . 10.6 tt0 -66.58 -64.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.0 m-20 -106.09 -56.77 2.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 9.6 m-85 -36.83 -67.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.583 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 9.2 mt -132.27 92.11 29.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.38 36.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.286 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.583 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 34.2 p90 -89.14 -42.8 11.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.5 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 17.6 mmtt -61.78 125.57 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 m -59.17 160.17 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 6.1 tp -59.91 -66.27 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.839 ' HA ' HD12 ' A' ' 47' ' ' ILE . 2.2 m -57.0 -49.45 75.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' THR . 31.2 t -38.24 -48.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.2 mt -63.34 -38.13 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 44' ' ' THR . 63.0 mt -60.23 -54.67 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ILE . 27.8 mt-10 -36.33 -53.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.468 ' CZ ' ' HE1' ' A' ' 52' ' ' MET . 11.6 t80 -48.18 -44.04 32.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.988 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' ILE . 26.0 t80 -46.9 -50.93 17.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -55.71 -53.48 56.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.468 ' HE1' ' CZ ' ' A' ' 49' ' ' TYR . 20.1 ttp -56.51 -57.99 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -52.69 -30.51 32.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -39.3 74.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.6 p -71.0 -44.62 65.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -39.47 144.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.83 34.6 1.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.4 141.26 38.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 66.56 55.08 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -144.04 153.64 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -54.44 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -151.57 143.4 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -157.06 136.04 11.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -131.41 82.21 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.3 p -82.08 42.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.64 83.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -18.3 36.73 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.309 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.8 p -122.97 115.99 22.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.8 p -71.01 155.01 41.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -77.21 140.74 40.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.394 . . . . 0.0 110.899 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -132.27 150.53 52.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.09 52.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -119.75 100.62 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 m -83.45 132.09 34.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.35 -156.4 8.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.7 mtt -152.95 122.67 6.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.745 0.307 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 40.03 29.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -76.6 100.51 5.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -118.21 115.15 24.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 t -92.41 169.39 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.66 -54.99 18.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -55.93 -55.31 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.65 -43.71 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.36 -56.37 15.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.97 -47.17 78.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mt -49.04 -35.78 16.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CE2' ' CD1' ' A' ' 49' ' ' TYR . 93.2 t80 -69.41 -62.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -37.83 -50.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.79 -31.32 68.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -61.0 -31.28 70.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 tp -82.68 -24.35 33.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -86.78 -32.13 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 26' ' ' TYR . 7.4 tmtm? -84.59 -63.66 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 2.8 m-85 -78.25 -59.39 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.02 -147.61 18.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.415 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -77.3 47.13 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.798 0.333 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -125.49 71.45 1.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.659 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.4 m-85 -51.2 -31.14 19.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -58.31 -58.03 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.516 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 6.4 t0 -52.16 -50.84 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.536 HG23 ' CB ' ' A' ' 37' ' ' PHE . 63.5 mt -53.75 -71.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' HB2' HD12 ' A' ' 46' ' ' ILE . 42.6 ttp85 -44.47 -22.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 33' ' ' ILE . 1.1 tp-100 -65.53 -63.95 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.1 m-20 -106.14 -57.88 1.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 8.1 m-85 -34.79 -67.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 mt -134.46 93.37 18.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.63 0.728 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -13.86 35.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.728 2.286 . . . . 0.0 112.394 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 38.5 p90 -101.97 38.42 1.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -137.73 157.15 47.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.5 m -93.7 168.43 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -64.34 -58.44 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.642 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -68.75 -49.64 57.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.9 m -37.6 -56.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.796 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.49 HD12 ' HB2' ' A' ' 34' ' ' ARG . 96.2 mt -55.59 -38.2 48.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.659 HD11 ' CD2' ' A' ' 30' ' ' PHE . 81.5 mt -61.01 -53.02 54.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ILE . 40.7 mt-10 -35.24 -49.32 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 53' ' ' TRP . 7.5 t80 -50.79 -44.43 58.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 56.0 t80 -48.05 -37.65 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 55' ' ' THR . 17.6 m-85 -82.31 -45.07 15.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -63.34 -20.83 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.565 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 36.5 t90 -88.85 -36.93 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -76.82 -35.95 57.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 51' ' ' TYR . 60.5 p -68.53 -38.11 80.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 52' ' ' MET . 13.8 p -56.85 148.62 20.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 3.5 p-10 -81.05 46.36 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -44.9 -57.97 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -116.54 80.4 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.2 p -92.54 142.21 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -116.74 176.81 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.67 120.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.49 136.57 43.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 -54.87 148.73 12.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -150.4 130.86 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.74 168.46 22.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 154.45 67.39 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.276 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.0 p -113.35 158.33 20.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 t -77.95 -45.1 24.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -82.19 155.16 25.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -96.83 173.48 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.7 86.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.439 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 6' ' ' SER . 32.0 p -161.77 148.27 13.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 5' ' ' SER . 37.2 t -36.29 130.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.68 -137.25 9.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.551 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 mmt -44.99 148.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.813 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -93.28 168.86 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -71.25 99.77 1.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -139.21 109.62 6.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -57.26 163.39 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.85 -50.75 71.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.8 p -54.85 -46.4 74.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -51.56 52.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.52 -46.48 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.7 t -62.42 -46.15 89.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.3 -41.77 72.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 42.9 t80 -56.84 -59.42 5.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -42.65 -59.98 1.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.41 -33.4 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -57.58 -42.04 82.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.14 -40.11 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.79 -40.55 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -81.5 -63.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 7.2 m-85 -84.5 -62.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.64 -152.8 19.18 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 6.3 tmtt? -40.64 -30.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -58.45 90.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 4.2 m-85 -72.08 -36.13 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -54.56 -61.09 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.559 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 73.0 m-20 -45.1 -45.42 11.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.678 HG23 ' CB ' ' A' ' 37' ' ' PHE . 19.6 mt -67.31 -68.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' NE ' HD23 ' A' ' 43' ' ' LEU . 20.9 ttp180 -44.46 -23.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -66.88 -64.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' PHE . 4.3 m-20 -102.79 -60.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.678 ' CB ' HG23 ' A' ' 33' ' ' ILE . 11.1 m-85 -35.87 -62.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mt -135.0 93.58 17.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -49.61 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.262 . . . . 0.0 112.322 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.1 p90 -58.42 -46.7 85.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 19.7 mmtm -56.64 151.58 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -86.13 178.45 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.439 HD23 ' NE ' ' A' ' 34' ' ' ARG . 1.2 tm? -74.62 -58.26 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.862 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -65.54 -48.85 71.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -38.15 -54.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -59.47 -34.13 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 44' ' ' THR . 74.8 mt -64.74 -53.0 47.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' ILE . 38.7 mt-10 -34.98 -47.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -62.47 -44.74 95.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' ILE . 12.0 t80 -51.51 -46.44 63.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.494 ' CE2' HG22 ' A' ' 47' ' ' ILE . 21.7 m-85 -52.82 -55.03 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.617 ' O ' HG22 ' A' ' 56' ' ' THR . 16.5 ttp -57.6 -48.06 80.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.709 ' CH2' HG22 ' A' ' 60' ' ' VAL . 3.8 t90 -57.45 -37.35 72.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -38.21 66.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.8 p -68.89 -40.91 78.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 52' ' ' MET . 10.1 t -79.96 -28.98 39.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 54.8 38.02 29.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.543 ' H ' HG23 ' A' ' 56' ' ' THR . 23.6 tpt180 -62.17 85.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.97 51.0 4.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.917 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.709 HG22 ' CH2' ' A' ' 53' ' ' TRP . 99.5 t -103.23 -54.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -43.4 136.66 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.01 159.02 31.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -123.51 175.14 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.9 ptt85 -52.3 -47.64 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.815 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 t -83.01 43.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.7 83.49 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -174.26 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -77.84 138.85 39.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.9 m -98.06 155.92 16.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 51.77 42.14 29.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -167.66 119.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.82 -49.93 56.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.442 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -59.93 116.27 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.844 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -38.27 107.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.34 -64.73 1.56 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.59 172.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.676 0.274 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -138.3 138.17 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -120.93 114.23 21.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.407 ' CZ2' ' HA ' ' A' ' 46' ' ' ILE . 5.2 m95 -118.86 164.3 15.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -91.05 133.94 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.17 -47.44 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -58.2 -56.78 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' OE1' ' CD2' ' A' ' 38' ' ' LEU . 15.9 mm-40 -55.26 -41.47 72.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.76 -58.08 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.1 m -48.11 -48.73 33.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.952 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.67 -53.91 33.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 36.6 t80 -46.58 -64.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -40.66 -63.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.96 -20.03 48.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.597 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -76.1 -38.05 57.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.87 -38.02 64.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.62 -32.57 71.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -83.26 -63.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 2.5 m-85 -72.98 -67.07 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.67 -141.91 14.85 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -79.4 44.48 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.37 81.8 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.847 ' CD2' HD11 ' A' ' 47' ' ' ILE . 2.8 m-85 -53.86 -36.25 62.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -60.12 -59.05 6.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.563 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 1.4 m-20 -44.67 -37.46 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.447 HG12 ' HB1' ' A' ' 22' ' ' ALA . 46.7 mt -77.03 -68.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 49.2 ttt-85 -48.18 -20.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -66.49 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -103.48 -62.08 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 6.9 m-85 -34.17 -63.92 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.587 HD13 ' HG3' ' A' ' 41' ' ' LYS . 6.8 mt -134.54 94.23 17.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -36.27 11.19 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 41' ' ' LYS . 42.4 p90 -70.8 -46.29 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HG3' HD13 ' A' ' 38' ' ' LEU . 30.1 mmtm -50.79 153.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.461 ' O ' HD12 ' A' ' 46' ' ' ILE . 5.6 m -88.9 166.88 13.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' C ' HD13 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -63.68 -59.16 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.554 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.3 m -68.72 -46.95 67.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.6 p -39.31 -44.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 21.3 mt -69.92 -37.3 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.847 HD11 ' CD2' ' A' ' 30' ' ' PHE . 97.1 mt -59.71 -55.69 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' ILE . 33.6 mt-10 -34.41 -57.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -41.21 -50.78 3.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -41.52 -55.32 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -49.6 -41.12 41.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.0 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -71.37 -46.45 60.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -52.94 -60.37 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -40.39 63.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.7 p -84.51 14.39 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.447 HG22 ' HB2' ' A' ' 58' ' ' ARG . 64.0 m -86.55 -54.86 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 43.19 43.04 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.447 ' HB2' HG22 ' A' ' 56' ' ' THR . 10.2 tpp180 -104.86 96.49 6.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 1.7 m-85 49.16 42.5 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.544 HG12 ' HG3' ' A' ' 61' ' ' GLN . 9.8 t -150.17 149.15 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.544 ' HG3' HG12 ' A' ' 60' ' ' VAL . 34.3 mt-30 62.93 43.51 6.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -79.89 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -52.65 -44.68 66.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -41.43 -59.93 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -59.22 144.61 45.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' HD2' ' A' ' 67' ' ' PRO . . . 140.86 -62.5 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.439 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 66' ' ' GLY . 54.3 Cg_endo -69.71 -1.74 8.94 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.4 p -124.96 109.38 12.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 p -133.45 141.02 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.465 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -133.54 146.68 51.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.3 t -71.55 138.88 49.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.2 56.89 0.58 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -124.4 129.73 51.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -53.35 130.42 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.63 147.18 4.83 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.79 168.92 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -101.28 160.05 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -106.11 134.77 48.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -112.18 121.67 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 m -64.31 149.33 48.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.88 -56.17 1.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 t -59.46 -46.14 89.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -50.45 -52.86 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.29 -66.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' LEU . 32.5 m -41.81 -60.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.427 HD13 HD21 ' A' ' 38' ' ' LEU . 5.8 mt -35.38 -64.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' LEU . 27.6 t80 -36.92 -62.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -44.82 -40.23 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -73.6 -42.68 61.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.697 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -52.33 -41.38 62.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 27' ' ' GLY . 8.0 tp -68.55 -60.38 2.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -51.62 -37.17 48.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -76.6 -63.43 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.504 ' CZ ' ' OD1' ' A' ' 32' ' ' ASP . 4.2 m-85 -83.95 -62.22 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.499 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 118.94 -142.81 17.04 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.47 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -75.89 48.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.26 76.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.714 ' CD2' HD11 ' A' ' 47' ' ' ILE . 5.9 m-85 -58.43 -20.97 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -68.77 -61.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 6.9 t0 -52.49 -37.91 58.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.697 HG12 ' HB1' ' A' ' 22' ' ' ALA . 32.9 mt -68.56 -68.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -47.3 -21.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.416 ' OE1' ' CG ' ' A' ' 36' ' ' ASP . 1.4 tm0? -68.9 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.4 m-20 -100.03 -62.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.935 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 9.3 m-85 -35.68 -62.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD13 ' HG3' ' A' ' 41' ' ' LYS . 6.6 mt -135.02 93.67 16.98 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.685 0.755 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -37.04 9.67 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.625 2.216 . . . . 0.0 112.391 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.512 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 44.9 p90 -72.41 -45.11 61.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HG3' HD13 ' A' ' 38' ' ' LEU . 59.8 mmtt -52.05 151.93 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 m -85.15 178.16 7.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.504 ' C ' HD13 ' A' ' 43' ' ' LEU . 1.6 tm? -74.29 -57.17 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.533 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.6 m -71.81 -47.74 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -37.8 -53.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.2 mt -57.02 -34.86 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.224 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 30' ' ' PHE . 93.1 mt -66.74 -50.73 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.086 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ILE . 23.8 mt-10 -34.15 -47.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.55 -44.81 77.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 47' ' ' ILE . 50.7 t80 -38.21 -50.69 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -59.2 -59.18 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -44.88 -51.25 9.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -66.37 -41.11 89.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -48.24 -42.26 29.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p -88.34 -41.73 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.0 m -62.28 -62.63 1.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 53.95 41.72 31.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 tpt85 -52.03 -52.91 47.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -129.55 100.6 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 62' ' ' GLN . 8.9 p -146.24 130.55 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 62' ' ' GLN . 3.7 pt20 -38.34 -37.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.543 ' H ' HG22 ' A' ' 60' ' ' VAL . 9.9 tp60 -62.4 110.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -100.11 88.63 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -114.84 83.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.3 t -111.28 124.62 52.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.16 -81.41 1.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.537 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 97.61 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.2 p -121.64 167.49 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.5 m -132.66 -56.73 0.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.49 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -102.99 128.88 49.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 m -155.45 113.87 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.72 92.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 m -152.77 111.95 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.792 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -90.69 140.03 30.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.12 -113.92 0.68 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 mtt -143.32 172.72 12.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -97.89 171.39 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -143.88 116.25 8.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CZ2' ' HD2' ' A' ' 41' ' ' LYS . 42.3 m95 -128.1 110.93 12.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' ALA . 1.2 t -80.11 151.18 29.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -35.38 -60.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.6 m -43.98 -50.8 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.06 -52.9 60.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.8 -49.02 5.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 t -65.16 -45.64 84.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -48.99 -41.68 35.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 73.0 t80 -60.3 -64.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' PHE . 12.4 mt-10 -35.8 -56.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.9 pt-20 -63.7 -33.95 76.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -55.98 -49.33 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -63.25 -36.42 83.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.09 -40.78 82.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -78.65 -63.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.587 ' CE1' ' OD2' ' A' ' 32' ' ' ASP . 12.2 m-85 -87.43 -64.55 1.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 106.26 -155.68 16.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 12.9 mmmm -38.97 -26.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLY . 14.3 t0 -62.57 87.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 47' ' ' ILE . 3.9 m-85 -71.82 -36.22 70.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -51.94 -57.81 8.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.587 ' OD2' ' CE1' ' A' ' 26' ' ' TYR . 7.0 t0 -49.81 -50.06 46.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.655 HG23 ' CB ' ' A' ' 37' ' ' PHE . 18.6 mt -60.39 -69.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.23 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 21.1 ttt180 -45.22 -22.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -69.02 -64.01 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 37' ' ' PHE . 8.9 m-20 -101.77 -60.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.655 ' CB ' HG23 ' A' ' 33' ' ' ILE . 11.0 m-85 -36.06 -66.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.55 HD13 ' HG3' ' A' ' 41' ' ' LYS . 9.3 mt -132.3 93.22 26.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -29.96 22.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 35.9 p90 -77.45 -44.97 27.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 38' ' ' LEU . 16.0 mmtm -54.66 152.08 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.616 ' O ' HD12 ' A' ' 46' ' ' ILE . 31.5 m -84.12 174.5 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.744 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.528 ' C ' HD13 ' A' ' 43' ' ' LEU . 1.0 OUTLIER -71.0 -60.13 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.821 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.3 m -67.14 -48.55 67.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' THR . 85.7 p -37.77 -53.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 42' ' ' SER . 18.9 mt -57.56 -37.51 58.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 44' ' ' THR . 65.8 mt -61.62 -55.19 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 47' ' ' ILE . 36.2 mt-10 -36.2 -47.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 53' ' ' TRP . 8.5 t80 -50.3 -44.85 54.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 47' ' ' ILE . 69.3 t80 -47.4 -42.24 21.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.432 ' CE2' HG22 ' A' ' 47' ' ' ILE . 21.2 m-85 -79.72 -43.48 22.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.798 ' O ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -67.77 -14.33 62.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.893 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.554 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 50.4 t90 -90.37 -37.6 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -34.5 23.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 51' ' ' TYR . 36.7 p -67.77 -36.08 79.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.202 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 52' ' ' MET . 11.0 p -52.22 128.9 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' ARG . 4.8 p-10 -35.12 -39.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ASP . 16.4 tpt85 -35.08 142.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 47.35 40.61 11.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 61' ' ' GLN . 8.0 p -39.42 -41.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.431 ' N ' HG13 ' A' ' 60' ' ' VAL . 77.0 mt-30 -39.84 106.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -152.61 126.95 9.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -71.35 120.59 17.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -117.4 -55.74 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 p -50.28 116.87 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.9 -94.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 83.99 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.372 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.6 t -88.34 170.63 10.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 70' ' ' GLY . 8.0 t -98.05 173.56 6.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.518 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -86.22 -44.49 12.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.346 . . . . 0.0 110.811 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -114.68 158.26 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.42 167.81 16.34 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 m -86.85 88.29 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t 57.66 40.71 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.25 102.1 1.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.4 mtm -140.85 122.05 14.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 42.03 29.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -87.79 43.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -39.01 128.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.3 p -104.1 169.68 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.76 -54.3 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.4 p -54.71 -47.64 73.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -61.08 2.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.79 -63.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.52 -55.52 18.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' PHE . 8.4 mt -42.52 -62.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 41.9 t80 -36.16 -67.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' OE2' ' NE1' ' A' ' 53' ' ' TRP . 30.1 mt-10 -40.46 -45.62 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.95 -35.69 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.931 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -59.41 -43.08 93.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 27' ' ' GLY . 8.1 tp -68.06 -56.21 9.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -53.63 -37.19 62.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -77.61 -63.63 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 3.8 m-85 -79.77 -64.97 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 119.04 -141.62 16.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 48.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -133.95 79.06 1.8 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CD2' HD11 ' A' ' 47' ' ' ILE . 4.7 m-85 -55.28 -30.56 60.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -59.13 -63.02 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 76.1 m-20 -45.23 -43.58 10.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.931 HG12 ' HB1' ' A' ' 22' ' ' ALA . 38.4 mt -67.2 -71.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.468 ' HB2' HD12 ' A' ' 46' ' ' ILE . 53.7 ttt-85 -45.6 -21.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 33' ' ' ILE . 44.3 tt0 -67.38 -63.56 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.5 m-20 -103.44 -61.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 7.5 m-85 -35.54 -62.58 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.618 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.3 mt -134.99 93.61 17.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.569 0.7 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.45 3.38 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.473 ' NE1' ' HG2' ' A' ' 41' ' ' LYS . 43.8 p90 -67.24 -44.32 79.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.618 ' HG3' HD13 ' A' ' 38' ' ' LEU . 37.8 mmtt -49.95 159.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -92.39 174.5 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.36 -59.59 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.71 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.3 m -68.87 -48.28 63.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.5 m -38.25 -50.8 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.468 HD12 ' HB2' ' A' ' 34' ' ' ARG . 73.1 mt -60.48 -35.59 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 44' ' ' THR . 84.9 mt -63.39 -45.68 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -42.43 -46.54 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 4.1 t80 -54.62 -43.1 71.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -41.44 -53.26 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -62.18 -56.96 13.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.954 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 52' ' ' MET . 8.4 tmm? -46.15 -61.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.491 ' NE1' ' OE2' ' A' ' 20' ' ' GLU . 69.5 t90 -56.37 -43.21 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -55.7 -48.41 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.6 p -68.78 -30.6 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.6 m -44.02 137.93 3.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -114.73 81.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -97.69 -50.97 4.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -128.8 81.54 2.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.3 t -127.47 -55.58 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -49.82 160.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -131.6 141.61 49.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -42.24 98.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -40.36 -59.02 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -78.93 94.87 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.53 -158.49 10.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -42.37 3.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.612 2.208 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.4 m -41.36 -58.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.0 p -62.41 164.71 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.509 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 p -135.82 138.93 43.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -52.12 159.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.91 67.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.536 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 m -59.86 109.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m 57.88 42.23 23.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.28 -97.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.2 mmt -63.18 103.36 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.319 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -90.18 152.14 21.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.51 115.89 30.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -144.78 105.94 4.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -58.82 160.82 5.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.782 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.51 -62.66 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.7 m -56.83 -44.84 82.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -52.56 -49.35 65.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.56 -65.26 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.8 m -46.76 -55.52 7.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -36.75 -54.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -45.57 -63.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -42.99 -40.61 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' GLU . 4.2 mm-40 -69.63 -50.33 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.678 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -43.02 -53.65 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 27' ' ' GLY . 10.0 tp -58.06 -26.32 62.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.7 mm-40 -81.9 -42.83 18.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -76.28 -63.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -83.88 -68.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.443 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 125.6 -143.24 14.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -78.46 45.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.765 0.317 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' ASN . 5.1 m-20 -121.19 56.46 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 47' ' ' ILE . 5.4 m-85 -34.13 -33.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' ASP . 34.5 m-80 -61.05 -56.85 16.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -54.8 -36.67 65.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.678 HG12 ' HB1' ' A' ' 22' ' ' ALA . 15.3 mt -71.61 -69.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 32.7 ttt180 -46.49 -21.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.07 -64.24 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.94 -60.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.7 m-85 -33.34 -65.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.98 94.28 16.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.95 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.376 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.0 p90 -58.17 -49.31 77.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 15.8 mmtm -58.25 144.42 41.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -77.91 165.37 24.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 8.2 tt -66.79 -64.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.659 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -54.42 -51.14 65.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.5 m -41.48 -41.57 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.0 mt -68.43 -36.76 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 44' ' ' THR . 63.7 mt -62.84 -52.76 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ILE . 38.9 mt-10 -34.76 -59.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -43.83 -44.9 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' ILE . 28.9 t80 -41.62 -57.59 2.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -54.67 -47.09 74.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -57.09 -57.89 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -54.68 -49.48 70.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -52.68 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' THR . 81.8 p -66.4 -42.95 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' THR . 91.8 m -37.11 143.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -66.05 84.5 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -138.11 113.76 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 t80 47.75 52.26 12.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.51 143.82 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -98.75 -49.69 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -70.6 87.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -63.41 142.55 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -105.42 134.5 48.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 t -81.24 170.16 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.36 75.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 162.77 40.73 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.703 2.269 . . . . 0.0 112.392 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.9 m -120.68 -59.99 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -46.69 -44.81 18.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -156.97 142.1 17.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -74.87 -45.99 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.19 164.79 11.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 p -105.38 149.89 25.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.6 p -162.59 108.51 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.41 -44.3 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.92 153.78 19.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.66 160.11 20.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -110.19 95.45 5.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -126.52 113.98 17.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t -61.99 160.7 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.815 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.65 -57.72 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m -47.9 -48.52 31.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.13 -41.04 97.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.22 -51.17 14.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.05 -50.46 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' PHE . 10.0 mt -44.63 -64.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 49' ' ' TYR . 42.4 t80 -34.93 -65.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -42.21 -46.76 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.71 -46.64 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.779 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -46.92 -58.16 4.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.171 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.559 HD21 ' CE1' ' A' ' 50' ' ' TYR . 9.1 tp -54.82 -35.71 64.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -66.33 -45.49 80.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -78.68 -63.62 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 10.9 m-85 -81.91 -66.86 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 104.84 -151.2 17.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.528 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 3.3 mmtp -39.24 -26.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.708 0.29 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' GLY . 4.2 m-20 -64.27 90.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 47' ' ' ILE . 3.4 m-85 -72.79 -35.05 67.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -56.77 -61.06 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -45.29 -40.65 7.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.779 HG12 ' HB1' ' A' ' 22' ' ' ALA . 18.4 mt -69.55 -73.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.431 ' NH1' ' HA ' ' A' ' 42' ' ' SER . 14.6 ttt85 -44.58 -25.7 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.8 -64.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.6 m-20 -103.01 -62.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.8 m-85 -33.18 -64.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.68 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.7 mt -135.03 94.75 15.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -36.28 11.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 41' ' ' LYS . 43.5 p90 -74.66 -44.3 51.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.68 ' HG3' HD13 ' A' ' 38' ' ' LEU . 30.9 mmtm -50.22 152.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.431 ' HA ' ' NH1' ' A' ' 34' ' ' ARG . 1.6 m -83.76 148.95 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.576 ' C ' HD13 ' A' ' 43' ' ' LEU . 2.7 tm? -55.41 -65.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 47' ' ' ILE . 22.5 m -59.32 -51.91 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' THR . 12.5 t -37.55 -52.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.3 mt -55.29 -36.92 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.642 HD11 ' CD2' ' A' ' 30' ' ' PHE . 80.5 mt -60.69 -58.16 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ILE . 63.0 mt-10 -34.53 -61.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -35.45 -47.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CE1' HD21 ' A' ' 23' ' ' LEU . 37.9 t80 -48.94 -57.71 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' HG23 ' A' ' 55' ' ' THR . 20.9 m-85 -48.95 -46.67 43.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.408 ' O ' HG23 ' A' ' 56' ' ' THR . 21.2 ttp -63.75 -37.32 86.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -69.08 -62.12 1.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -37.26 59.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.851 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 51' ' ' TYR . 18.2 p -63.96 -44.31 93.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.134 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 52' ' ' MET . 27.4 p -67.7 163.29 21.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.81 41.13 1.58 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -56.06 109.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 25.0 t80 42.77 40.49 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.7 p -44.26 142.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -96.89 112.04 23.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -174.98 155.32 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -83.85 84.38 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -119.19 164.98 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 m -95.31 -60.39 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.815 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 51.19 82.76 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.536 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.611 2.207 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.9 p -160.98 121.96 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.5 t -128.96 105.76 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -82.71 136.32 34.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 p -165.56 157.2 14.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.09 66.65 0.66 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -123.45 139.24 54.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.862 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -130.73 152.14 50.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.67 -129.4 3.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.45 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -80.29 176.24 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.338 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -125.72 150.52 47.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -141.09 128.72 21.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -99.99 135.76 40.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -83.83 175.81 9.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.38 -60.28 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -48.83 -42.96 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.81 -50.56 66.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.24 -60.56 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.5 t -53.81 -47.6 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.607 HD13 HD21 ' A' ' 38' ' ' LEU . 5.2 mt -48.4 -38.73 20.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE2' ' CD1' ' A' ' 49' ' ' TYR . 84.4 t80 -66.63 -64.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' PHE . 25.6 mt-10 -37.75 -48.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.5 pt-20 -70.53 -33.22 70.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.564 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -58.97 -37.43 76.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.18 -33.7 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.93 -24.79 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -83.42 -63.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 10.9 m-85 -89.63 -62.7 1.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.29 -147.31 16.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -76.88 49.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' PHE . 7.6 t0 -126.96 60.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.519 ' CE2' HG12 ' A' ' 47' ' ' ILE . 1.6 m-85 -34.69 -38.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -54.96 -66.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -43.81 -37.83 2.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.558 HG23 ' CB ' ' A' ' 37' ' ' PHE . 17.2 mt -73.46 -72.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 39.1 ttt-85 -41.32 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' ILE . 56.8 tt0 -64.94 -64.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' PHE . 4.9 m-20 -102.55 -61.78 1.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 8.5 m-85 -34.03 -63.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 18' ' ' LEU . 8.0 mt -135.06 94.32 16.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -44.69 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.65 2.233 . . . . 0.0 112.452 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.488 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 41.4 p90 -62.32 -48.51 79.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 33.4 mmtt -53.73 155.1 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -91.61 161.63 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 9.8 tp -61.29 -64.86 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.855 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.2 m -60.06 -45.3 93.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.5 p -44.47 -45.21 9.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.81 -33.03 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' A' ' 44' ' ' THR . 68.1 mt -63.39 -58.65 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ILE . 26.7 mt-10 -34.45 -49.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 11.8 t80 -48.69 -48.25 40.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' ILE . 53.4 t80 -45.73 -40.83 9.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.48 ' CE2' HG22 ' A' ' 47' ' ' ILE . 18.1 m-85 -79.35 -41.64 27.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.402 ' CG ' ' HA ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -70.34 -14.15 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.566 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 46.6 t90 -92.43 -37.21 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -77.65 -27.26 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 p -67.57 -43.02 81.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' ASP . 33.4 p -46.65 158.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' THR . 1.2 m-20 -36.35 -45.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -55.29 133.56 49.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.1 t80 67.75 42.6 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 61' ' ' GLN . 9.4 t -154.65 153.37 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.445 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -127.35 89.27 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -146.65 172.02 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -51.1 95.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 65' ' ' SER . 4.9 tmt_? -171.43 144.3 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.44 ' N ' ' HD3' ' A' ' 64' ' ' ARG . 15.9 p -42.06 164.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.25 145.5 22.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 126.62 13.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.321 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.9 p -75.94 95.03 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.4 p -109.71 167.07 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -107.18 151.05 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -111.47 -56.71 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.34 -138.33 6.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 p -126.86 111.07 13.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.84 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -170.21 119.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.83 -67.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.5 ptp -172.59 174.3 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.735 0.302 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -95.11 165.26 12.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -142.88 120.12 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -123.65 126.99 47.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -83.98 148.41 26.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.03 -53.45 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.1 p -53.49 -47.47 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.496 ' OE1' ' CD2' ' A' ' 38' ' ' LEU . 44.3 mm-40 -58.95 -43.99 91.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.66 -55.92 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 m -50.21 -50.94 47.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mt -48.47 -41.48 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 41.0 t80 -58.33 -63.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -38.46 -59.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.19 -32.23 72.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -58.76 -25.61 63.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 23' ' ' LEU . 10.0 tp -84.9 -47.32 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.52 -36.28 80.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -80.78 -63.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 3.4 m-85 -84.81 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 108.47 -161.17 13.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -37.35 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 27' ' ' GLY . 8.0 t0 -57.26 93.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.618 ' CD2' HD11 ' A' ' 47' ' ' ILE . 5.9 m-85 -74.72 -36.42 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -57.07 -61.88 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.475 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -42.45 -48.67 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.572 HG23 ' CB ' ' A' ' 37' ' ' PHE . 19.1 mt -63.96 -72.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 37.4 ttt180 -42.61 -24.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ILE . 12.7 tt0 -64.15 -64.26 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.8 m-20 -103.1 -61.38 1.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CB ' HG23 ' A' ' 33' ' ' ILE . 12.9 m-85 -33.24 -67.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 8.8 mt -132.86 94.52 20.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -41.58 4.25 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.371 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 41.2 p90 -67.68 -46.14 73.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 30.5 mmtm -54.96 139.02 42.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -70.11 164.58 23.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 9.3 tp -69.38 -64.79 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.703 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -59.7 -47.51 85.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 t -41.43 -42.94 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mt -71.79 -30.41 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 44' ' ' THR . 75.5 mt -64.02 -56.86 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 8.8 mm-40 -43.7 -35.19 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -64.89 -36.74 85.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -60.6 -39.59 88.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.575 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 19.1 m-85 -56.45 -54.04 50.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.0 ttp -55.07 -59.25 5.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -53.08 -46.18 68.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -48.14 -59.59 3.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.0 p -65.59 -38.99 91.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 58' ' ' ARG . 39.4 m -45.33 -52.95 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 46.95 42.21 12.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HB2' HG22 ' A' ' 56' ' ' THR . 18.5 ttt85 -90.44 -49.15 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -126.7 81.71 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 61' ' ' GLN . 12.6 p -97.94 153.72 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.408 ' N ' HG22 ' A' ' 60' ' ' VAL . 9.1 mm100 -47.17 150.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -76.2 134.89 39.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -104.04 129.28 51.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 4.1 tpm_? -154.69 156.29 36.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 20.3 m -70.2 88.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.75 -161.03 8.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 95.77 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.279 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.7 t -81.08 175.53 10.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 70' ' ' GLY . 96.0 p 41.69 40.98 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.541 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t 67.76 42.27 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.341 . . . . 0.0 110.813 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -48.81 124.94 9.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.41 132.35 1.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -71.57 144.18 49.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -97.09 136.79 37.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.55 -80.66 0.17 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.4 mmt -70.65 130.06 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -91.94 172.8 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 46.5 tt0 -112.13 127.65 55.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CH2' ' HD2' ' A' ' 41' ' ' LYS . 62.5 m95 -151.24 130.41 12.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -106.78 171.82 7.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.24 -54.15 40.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.1 m -48.2 -63.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -54.15 -42.7 69.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.67 -52.33 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.5 m -60.44 -54.15 48.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -39.42 -53.52 2.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 69.5 t80 -46.32 -59.1 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.812 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.12 -43.61 20.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.26 -47.65 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -47.16 -60.3 2.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 tp -41.17 -39.72 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -43.99 65.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -74.08 -63.78 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.954 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -89.72 -68.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 119.92 -167.62 13.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.512 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 9.7 tmtt? -35.99 -31.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLY . 3.0 m-20 -61.79 89.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.881 ' HA ' HD12 ' A' ' 33' ' ' ILE . 5.5 m-85 -74.16 -33.04 63.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -44.64 -53.26 7.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -65.1 -31.27 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' A' ' 30' ' ' PHE . 44.6 mt -71.24 -66.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HD3' ' C ' ' A' ' 42' ' ' SER . 27.2 ttp180 -48.15 -20.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.5 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.3 m-20 -102.4 -62.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.46 ' CB ' HG23 ' A' ' 33' ' ' ILE . 7.8 m-85 -34.89 -62.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.96 94.08 16.67 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.642 0.734 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 53.8 Cg_endo -69.76 -46.94 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.391 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.8 p90 -58.21 -46.77 85.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 23.1 mmtm -52.26 154.52 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.571 ' O ' HD12 ' A' ' 46' ' ' ILE . 1.8 m -92.26 -179.34 5.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' C ' HD13 ' A' ' 43' ' ' LEU . 2.3 tm? -72.63 -57.31 4.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.551 HG23 HD12 ' A' ' 47' ' ' ILE . 1.1 m -76.27 -39.83 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.2 t -43.84 -36.76 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 42' ' ' SER . 18.1 mt -80.53 -26.26 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.608 HG22 ' CE2' ' A' ' 51' ' ' TYR . 65.8 mt -62.83 -52.37 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -45.24 -48.81 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 21.5 t80 -51.25 -47.53 62.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -47.59 -37.52 12.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.608 ' CE2' HG22 ' A' ' 47' ' ' ILE . 13.5 m-85 -81.53 -44.48 17.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -20.8 65.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.501 ' O ' ' N ' ' A' ' 56' ' ' THR . 65.6 t90 -92.5 -59.73 2.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 53' ' ' TRP . 0.6 OUTLIER -35.89 -46.17 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.975 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -71.81 -37.64 70.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' TRP . 93.1 m -37.46 149.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -99.54 42.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -104.31 129.05 52.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 48.1 t80 63.05 43.45 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' GLN . 10.1 p -152.38 150.28 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' VAL . 71.4 mt-30 -37.68 142.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -162.91 158.5 22.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.14 41.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 tpp85 -145.94 143.91 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.755 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.9 p -75.65 120.34 20.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.31 84.26 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 164.18 35.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.236 . . . . 0.0 112.389 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -158.65 167.87 28.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t 69.14 42.27 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -94.79 138.65 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m 39.64 42.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.98 78.87 0.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -159.5 163.12 35.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 110.801 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 p -95.45 -47.29 6.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.88 -41.7 2.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.53 164.45 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.45 152.16 22.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -103.72 108.85 20.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -120.2 132.47 55.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m -91.72 173.16 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.48 57.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -45.52 -55.86 5.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.54 -51.41 65.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.72 -55.59 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.7 m -61.02 -47.43 86.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mt -48.87 -42.16 35.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.519 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 70.4 t80 -59.26 -67.33 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' PHE . 44.7 mt-10 -35.5 -60.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.71 -34.67 71.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -56.47 -49.89 73.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 27' ' ' GLY . 10.1 tp -65.27 -19.52 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -85.32 -38.87 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -81.59 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 11.7 m-85 -80.85 -64.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.421 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 116.77 -144.44 18.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -76.06 48.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.54 66.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.734 ' CD2' HD11 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -43.98 -39.7 4.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -47.1 -58.67 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.5 -57.92 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.646 HG23 ' CB ' ' A' ' 37' ' ' PHE . 25.4 mt -49.5 -69.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HB2' HD12 ' A' ' 46' ' ' ILE . 26.7 ttp85 -46.55 -21.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -69.55 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.66 -56.49 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.646 ' CB ' HG23 ' A' ' 33' ' ' ILE . 7.4 m-85 -39.96 -61.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.4 mt -135.01 91.24 19.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.67 0.748 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.29 22.19 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 38.9 p90 -79.3 -43.61 23.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HG3' HD13 ' A' ' 38' ' ' LEU . 51.3 mmtt -55.12 148.9 13.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -84.69 165.57 17.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.44 ' C ' HD13 ' A' ' 43' ' ' LEU . 1.2 tm? -58.81 -64.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.553 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.6 m -64.64 -46.9 80.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -37.82 -49.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 34' ' ' ARG . 60.3 mt -63.1 -38.82 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.734 HD11 ' CD2' ' A' ' 30' ' ' PHE . 82.1 mt -61.39 -55.49 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' ILE . 21.6 mt-10 -34.52 -49.3 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.4 t80 -54.14 -48.51 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 49' ' ' TYR . 33.0 t80 -34.22 -47.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' THR . 9.0 m-85 -76.43 -55.95 5.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.557 ' O ' ' HE3' ' A' ' 52' ' ' MET . 0.0 OUTLIER -54.05 -14.55 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.552 ' O ' HG22 ' A' ' 56' ' ' THR . 61.2 t90 -94.51 -47.4 6.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -92.36 -51.88 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' TYR . 1.3 m -63.65 -10.78 20.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 53' ' ' TRP . 1.4 t -42.03 148.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.98 38.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.796 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -83.72 -49.36 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 62' ' ' GLN . 3.1 t80 -107.5 82.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.95 -28.14 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -129.27 39.16 3.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.429 ' HA ' ' CE1' ' A' ' 59' ' ' TYR . 31.7 tt0 69.84 40.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -64.42 -45.69 86.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 43.01 44.18 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.0 t -40.95 -59.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.86 171.16 12.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.721 2.28 . . . . 0.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -58.59 -45.51 88.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.3 t -56.13 114.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p -89.97 -61.54 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -49.01 106.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.55 59.03 0.36 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -102.63 116.4 32.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -156.5 133.72 10.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.59 -82.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 ptp -64.66 175.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -93.59 158.72 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -142.44 108.33 5.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -98.51 121.73 40.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.1 p -79.4 152.45 30.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.93 -52.59 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.3 p -58.21 -50.83 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -54.31 -55.29 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.86 -43.12 28.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.7 t -67.23 -46.7 73.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 12.0 mt -48.72 -42.88 36.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 33.8 t80 -53.38 -61.09 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -41.07 -60.21 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 11.9 pt-20 -59.97 -39.1 84.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -51.79 -40.43 60.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tp -73.6 -37.12 65.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.81 -36.12 79.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -84.59 -63.61 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 32' ' ' ASP . 4.8 m-85 -81.51 -68.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 118.46 -163.43 13.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.508 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -40.15 -25.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.561 ' O ' HD12 ' A' ' 33' ' ' ILE . 7.6 m-20 -61.86 108.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' HG12 ' A' ' 47' ' ' ILE . 4.6 m-85 -86.46 -32.65 20.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -54.49 -68.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 2.5 p30 -40.66 -49.24 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.606 HG23 ' CB ' ' A' ' 37' ' ' PHE . 39.8 mt -61.82 -70.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 23.4 ttt-85 -43.18 -24.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' ILE . 2.6 tp-100 -64.59 -64.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 37' ' ' PHE . 8.1 m-20 -100.73 -62.37 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CB ' HG23 ' A' ' 33' ' ' ILE . 12.2 m-85 -32.65 -66.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 8.1 mt -135.02 94.77 15.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.78 0.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 42.6 p90 -56.59 -48.91 76.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 36.3 mmtt -55.44 145.18 23.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 m -77.33 169.77 17.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 11.0 tp -70.26 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.789 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -62.25 -47.26 85.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 m -39.83 -44.06 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.64 -38.43 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 44' ' ' THR . 79.8 mt -57.24 -50.03 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.7 mt-10 -34.83 -51.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.47 -48.81 73.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' ILE . 18.3 t80 -44.15 -44.14 7.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.421 ' O ' HG23 ' A' ' 55' ' ' THR . 25.7 m-85 -60.21 -59.78 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -53.4 -58.17 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.1 t90 -51.37 -24.64 4.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -89.27 -31.44 17.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 51' ' ' TYR . 71.2 p -86.56 8.29 22.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -52.6 147.86 7.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.45 44.33 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.571 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 1.1 tpm_? -107.25 158.98 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 14.9 p90 34.6 43.95 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 p -107.66 147.73 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -50.79 -44.75 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -88.79 42.65 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -42.7 -52.63 4.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -117.39 88.28 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -89.36 177.69 6.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -53.6 -179.96 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.544 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 105.18 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.4 t -99.22 108.96 21.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -47.96 97.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 p -131.77 144.28 50.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 110.88 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -173.85 160.06 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 115.74 97.86 2.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' GLY . 29.1 t -36.58 121.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -60.24 133.02 55.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.47 -100.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.0 mmm -80.86 163.84 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.714 0.293 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.87 137.14 51.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -107.87 125.19 51.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -96.35 133.98 40.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 t -84.89 145.24 27.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . -45.74 -55.5 6.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.4 t -48.92 -61.71 1.91 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' OE1' HD12 ' A' ' 18' ' ' LEU . 27.3 mm-40 -48.29 -46.59 36.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -41.08 -47.09 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.31 -51.27 70.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD12 ' OE1' ' A' ' 15' ' ' GLU . 10.5 mt -47.19 -36.44 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -60.28 -58.13 9.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -46.5 -56.12 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.49 -40.16 96.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -50.43 -45.08 55.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 tp -67.84 -40.08 83.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.3 -38.44 90.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -83.86 -63.08 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 4.1 m-85 -82.95 -64.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 103.02 -159.89 17.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 10.4 mtpt -36.18 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLY . 28.6 m-20 -59.0 87.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.752 ' CD2' HD11 ' A' ' 47' ' ' ILE . 3.3 m-85 -72.19 -36.63 69.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -48.94 -64.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 61.0 m-20 -45.36 -50.88 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 30' ' ' PHE . 20.2 mt -55.97 -72.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.558 ' HB2' HD12 ' A' ' 46' ' ' ILE . 40.6 ttt180 -44.88 -25.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -63.9 -64.29 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -102.92 -61.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 13.8 m-85 -34.14 -63.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mt -135.07 94.38 16.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.94 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.607 2.205 . . . . 0.0 112.29 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 40.4 p90 -60.76 -42.07 96.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 39.4 mmtm -59.55 157.91 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -88.72 179.26 6.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.499 ' C ' HD13 ' A' ' 43' ' ' LEU . 2.4 tm? -77.81 -56.18 4.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.541 ' HA ' HD12 ' A' ' 47' ' ' ILE . 12.9 m -71.09 -45.78 63.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 m -39.78 -47.87 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 34' ' ' ARG . 65.7 mt -63.12 -35.16 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.752 HD11 ' CD2' ' A' ' 30' ' ' PHE . 85.9 mt -63.68 -56.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ILE . 28.5 mt-10 -35.02 -44.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -57.36 -51.14 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.968 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ILE . 38.8 t80 -44.09 -59.15 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -44.97 -62.82 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.4 ttp -50.12 -55.83 13.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.9 t90 -49.29 -28.77 5.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -83.44 -48.8 9.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.5 p -81.14 15.28 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -175.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.31 36.95 11.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -55.04 131.94 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.467 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 31.2 t80 46.33 41.75 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.3 p -39.89 138.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -94.45 161.64 14.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.22 41.93 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -90.4 163.25 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -112.09 41.03 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' GLY . 6.9 t -105.8 159.36 16.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -36.84 155.87 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.515 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.68 4.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.727 2.285 . . . . 0.0 112.278 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -53.12 128.64 28.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.797 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -127.06 -60.31 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m 39.0 42.25 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.903 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -167.71 149.99 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.16 -136.51 4.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -128.16 -50.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.822 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -48.1 151.87 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.48 138.0 9.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.0 mtt -97.75 175.47 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.702 0.287 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 143.73 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -129.62 105.24 7.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -109.19 167.11 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' ALA . 10.3 m -123.1 155.93 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.788 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -38.08 -61.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -43.57 -51.89 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.55 -55.2 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.49 -61.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.1 t -49.93 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' PHE . 6.4 mt -38.17 -61.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 40.8 t80 -37.07 -64.64 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -42.32 -46.4 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -65.4 -50.16 66.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -43.29 -57.78 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tp -52.99 -24.8 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -87.8 -35.86 17.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -78.57 -63.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -81.54 -63.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.01 -145.1 15.55 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -75.98 48.48 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.39 90.04 2.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.843 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.1 m-85 -64.01 -40.82 97.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -45.09 -69.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -43.56 -54.22 5.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 ' CB ' ' A' ' 37' ' ' PHE . 65.8 mt -51.93 -65.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 42' ' ' SER . 49.3 ttt180 -48.13 -20.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.69 -63.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.49 -60.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CB ' HG23 ' A' ' 33' ' ' ILE . 7.6 m-85 -36.27 -62.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.576 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.7 mt -134.98 93.32 17.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -37.44 9.16 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.65 2.233 . . . . 0.0 112.309 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 38.9 p90 -70.84 -40.62 72.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.576 ' HG3' HD13 ' A' ' 38' ' ' LEU . 4.2 mmpt? -56.62 161.41 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.441 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 8.7 m -102.1 163.79 12.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' C ' HD13 ' A' ' 43' ' ' LEU . 1.1 tm? -56.12 -57.55 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.548 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.9 m -72.7 -47.85 43.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.4 m -37.64 -48.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.5 mt -64.25 -38.97 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.843 HD11 ' CD2' ' A' ' 30' ' ' PHE . 91.6 mt -61.11 -52.47 61.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' ILE . 7.7 mt-10 -35.09 -53.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -46.36 -47.73 18.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -47.6 -54.03 12.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.958 ' O ' HG23 ' A' ' 55' ' ' THR . 19.2 m-85 -43.45 -43.86 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.46 ' O ' HG23 ' A' ' 56' ' ' THR . 17.9 tmm? -75.94 -31.41 59.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -67.19 -41.4 85.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -75.03 -31.69 61.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.958 HG23 ' O ' ' A' ' 51' ' ' TYR . 76.0 p -67.22 -44.61 79.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 52' ' ' MET . 20.8 p -47.41 139.17 6.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.09 46.3 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -91.91 88.13 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.5 t80 66.21 42.92 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 61' ' ' GLN . 8.0 p -39.57 -39.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.405 ' N ' HG13 ' A' ' 60' ' ' VAL . 37.8 mt-30 -50.68 101.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -38.31 151.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -90.96 144.01 26.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.08 89.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -112.04 160.06 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -135.38 83.36 0.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 129.31 17.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.3 p -74.97 158.93 32.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.4 p -45.92 112.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.479 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -72.36 174.3 7.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.807 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -93.96 -58.08 2.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.33 177.37 26.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 m -100.82 42.16 1.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -113.97 135.97 53.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.08 -108.46 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.443 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -59.02 110.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.729 0.3 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -93.13 141.34 28.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -126.94 109.45 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -78.38 114.24 17.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.4 m -68.55 144.8 54.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.02 -53.62 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.03 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.6 m -50.31 -55.13 16.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -57.17 -53.23 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.24 32.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.5 m -59.07 -43.16 91.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 2.9 mt -57.35 -44.73 84.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.536 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 66.7 t80 -54.26 -66.58 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' PHE . 43.8 mt-10 -35.03 -61.76 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 8.3 pt-20 -58.68 -34.73 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -55.55 -36.37 66.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD21 ' CE1' ' A' ' 50' ' ' TYR . 9.5 tp -77.66 -30.24 51.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -77.41 -34.12 54.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -87.31 -63.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 3.2 m-85 -78.28 -65.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.11 -148.79 18.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -75.51 49.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ASN . 0.9 OUTLIER -124.77 56.34 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.4 m-85 -34.49 -32.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ASP . 1.9 p30 -59.87 -62.78 1.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -50.19 -33.43 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.467 HG23 ' CB ' ' A' ' 37' ' ' PHE . 35.7 mt -74.52 -72.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 25.8 ttt180 -44.79 -23.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -67.0 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.2 m-20 -102.56 -60.36 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.542 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 5.8 m-85 -36.53 -62.5 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.988 0.423 . . . . 0.0 110.982 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.677 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.0 mt -134.69 93.17 18.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.645 0.736 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -27.68 26.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.494 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.9 p90 -82.21 -42.55 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.677 ' HG3' HD13 ' A' ' 38' ' ' LEU . 23.5 mmtt -54.57 154.17 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.9 m -92.33 149.06 21.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -62.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.965 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.2 m -62.11 -54.07 46.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' THR . 31.2 t -37.63 -54.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 21.1 mt -55.73 -35.53 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.965 HD12 ' HA ' ' A' ' 44' ' ' THR . 50.2 mt -64.88 -53.15 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.4 mt-10 -35.19 -49.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.34 -45.63 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CE1' HD21 ' A' ' 23' ' ' LEU . 63.2 t80 -43.24 -57.83 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.931 ' O ' HG23 ' A' ' 55' ' ' THR . 39.3 m-85 -46.47 -51.82 14.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.15 -25.15 68.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -79.59 -38.98 32.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -22.82 38.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.931 HG23 ' O ' ' A' ' 51' ' ' TYR . 67.5 p -81.02 6.52 13.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.8 p -75.92 146.79 39.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.175 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -37.65 -53.41 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -48.92 154.82 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 72.43 55.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.2 p -142.71 145.33 23.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -94.82 150.82 19.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -70.03 179.32 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.14 44.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -108.62 -53.14 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -122.21 97.23 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.43 176.04 45.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.62 119.71 6.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.387 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.9 m -87.5 -58.03 2.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.824 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.2 p -115.2 168.17 10.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -89.04 119.64 29.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.786 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m 50.67 42.16 26.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.793 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.78 -90.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -169.66 157.34 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.951 0.405 . . . . 0.0 110.83 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -64.58 98.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.43 -62.71 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -115.51 167.0 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.724 0.297 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.75 165.79 11.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -167.2 120.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -107.72 170.72 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.5 m -128.45 172.5 11.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.82 -53.53 55.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 m -57.22 -55.14 38.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -54.05 -48.97 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.59 -61.82 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -47.13 -45.95 22.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 HD21 ' A' ' 38' ' ' LEU . 9.5 mt -51.58 -44.84 62.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.692 ' CD2' ' CE1' ' A' ' 49' ' ' TYR . 70.8 t80 -64.23 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' PHE . 2.5 mm-40 -37.18 -50.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.5 pt-20 -69.25 -33.6 73.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.65 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -57.88 -48.31 80.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 27' ' ' GLY . 10.8 tp -63.15 -23.59 67.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -86.25 -38.48 17.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -78.4 -63.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 32' ' ' ASP . 7.1 m-85 -81.44 -64.78 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 122.49 -146.87 16.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -77.1 47.28 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -126.11 74.6 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.694 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -48.32 -39.78 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -53.63 -56.53 16.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 7.5 t0 -50.7 -52.77 37.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.65 HG12 ' HB1' ' A' ' 22' ' ' ALA . 15.1 mt -58.88 -68.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 36.9 ttt-85 -45.13 -22.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 33' ' ' ILE . 18.7 tt0 -65.71 -64.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.6 m-20 -105.89 -57.79 2.0 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.647 ' CB ' HG23 ' A' ' 33' ' ' ILE . 5.4 m-85 -35.72 -65.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.605 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.6 mt -135.07 92.93 17.69 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -25.6 28.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.738 2.292 . . . . 0.0 112.384 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.592 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 35.6 p90 -82.26 -40.72 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HG3' HD13 ' A' ' 38' ' ' LEU . 26.6 mmtp -60.84 128.32 35.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' HD12 ' A' ' 46' ' ' ILE . 3.4 p -58.8 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 43' ' ' LEU . 1.6 tm? -82.39 -54.37 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.66 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.9 m -68.19 -48.26 65.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' THR . 9.4 t -37.58 -57.43 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 42' ' ' SER . 22.5 mt -51.5 -38.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.694 HD11 ' CD2' ' A' ' 30' ' ' PHE . 72.7 mt -63.91 -57.08 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.6 mt-10 -36.47 -52.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.692 ' CE1' ' CD2' ' A' ' 19' ' ' PHE . 4.2 t80 -45.82 -44.3 14.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ILE . 91.6 t80 -47.71 -44.05 27.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.561 ' O ' HG23 ' A' ' 55' ' ' THR . 17.9 m-85 -78.41 -44.37 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.475 ' CG ' ' HA ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -66.54 -16.96 64.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.558 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 53.0 t90 -86.72 -44.63 11.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 55' ' ' THR . 16.3 pttp -72.92 -36.03 67.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 51' ' ' TYR . 62.0 p -66.67 -40.2 88.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -79.55 150.64 31.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 58' ' ' ARG . 1.1 m-20 -87.68 44.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -34.57 145.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 59' ' ' TYR . 74.9 t80 59.8 54.01 4.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' GLN . 5.6 p -144.04 144.81 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' VAL . 44.4 mt-30 -34.48 119.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -174.97 158.82 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.08 139.76 27.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 61.62 49.41 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.9 m -119.13 85.19 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.68 175.75 44.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 145.98 58.62 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.641 2.228 . . . . 0.0 112.365 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -129.93 135.42 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 t -129.34 157.21 42.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.88 0.372 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.23 -53.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -57.82 -46.38 84.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.28 -48.21 81.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.65 -56.11 17.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.0 m -53.92 -44.29 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.02 -47.86 61.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.563 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 67.3 t80 -59.34 -62.49 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -40.47 -60.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.36 -28.05 64.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -65.04 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 27' ' ' GLY . 9.8 tp -70.83 -51.78 24.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.46 -33.86 70.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -82.63 -63.52 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.22 -66.09 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.537 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 120.87 -147.36 17.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -75.78 48.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.69 69.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CD2' HD11 ' A' ' 47' ' ' ILE . 2.2 m-85 -46.53 -33.31 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.89 -60.52 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -48.82 -40.19 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 ' CB ' ' A' ' 37' ' ' PHE . 22.7 mt -70.51 -67.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 48.3 ttt180 -47.25 -21.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -67.44 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.62 -60.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.3 m-85 -36.3 -62.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -134.97 93.16 17.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.631 0.729 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -45.31 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.367 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.2 p90 -62.87 -48.01 80.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 34.4 mmtt -53.89 156.31 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -92.7 167.83 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -64.13 -61.26 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.791 ' HA ' HD12 ' A' ' 47' ' ' ILE . 2.2 m -66.42 -48.78 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.9 m -39.87 -42.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.45 -36.15 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 44' ' ' THR . 58.2 mt -63.83 -52.75 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' ILE . 22.2 mt-10 -34.46 -55.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 50' ' ' TYR . 11.7 t80 -48.06 -51.48 24.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' TYR . 92.0 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.875 0.369 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.1 -62.4 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -38.74 -51.33 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.41 -58.92 4.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -37.23 -54.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.86 -55.56 31.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 10.0 mt -42.03 -46.04 4.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 47.2 t80 -59.82 -56.81 17.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -43.43 -54.47 4.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 11.4 pt-20 -64.12 -40.74 96.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -51.76 -58.9 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -43.92 -37.87 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -83.45 -29.33 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -69.63 -63.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -96.1 -64.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.59 -163.56 25.2 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 7.2 mmmm -46.87 -20.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.777 0.322 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.36 98.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CD2' HD11 ' A' ' 47' ' ' ILE . 4.7 m-85 -75.04 -25.55 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.77 -68.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -38.38 -48.18 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.588 HG23 ' CB ' ' A' ' 37' ' ' PHE . 16.8 mt -63.35 -66.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.17 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.8 ttp180 -47.61 -21.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -69.75 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' PHE . 5.0 m-20 -99.48 -62.34 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.588 ' CB ' HG23 ' A' ' 33' ' ' ILE . 9.7 m-85 -36.09 -63.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.639 HD13 ' HG3' ' A' ' 41' ' ' LYS . 9.3 mt -133.39 93.36 22.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.18 11.3 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.7 p90 -73.77 -44.1 57.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.639 ' HG3' HD13 ' A' ' 38' ' ' LEU . 24.1 mmmt -53.41 149.05 8.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 46' ' ' ILE . 1.8 m -80.9 -179.4 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.801 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 43' ' ' LEU . 2.2 tm? -77.4 -57.34 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.722 ' HA ' HD12 ' A' ' 47' ' ' ILE . 8.8 m -69.78 -48.33 59.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' THR . 4.6 t -37.79 -54.06 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 42' ' ' SER . 44.2 mt -55.63 -36.05 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 44' ' ' THR . 77.5 mt -63.02 -52.54 57.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ILE . 22.6 mt-10 -35.29 -50.43 0.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 7.9 t80 -48.3 -46.69 36.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' ILE . 55.6 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.62 -58.57 6.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.2 m -48.31 -58.09 5.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -54.64 -50.08 68.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.16 -44.79 22.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.0 t -64.31 -51.88 61.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -47.31 -41.83 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 30.7 t80 -56.99 -67.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' PHE . 21.2 mt-10 -34.54 -60.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.83 -34.98 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.699 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -55.87 -46.4 78.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.44 -27.04 64.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -81.73 -30.99 32.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -84.85 -63.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -76.88 -66.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.31 -145.71 16.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.429 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -75.73 48.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -133.15 74.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 47' ' ' ILE . 3.7 m-85 -47.72 -44.7 27.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.49 -61.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.67 -56.85 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.699 HG12 ' HB1' ' A' ' 22' ' ' ALA . 24.6 mt -52.3 -72.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 33.8 ttt-85 -45.2 -21.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' ILE . 10.6 tt0 -66.58 -64.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.0 m-20 -106.09 -56.77 2.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 9.6 m-85 -36.83 -67.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.583 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 9.2 mt -132.27 92.11 29.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.38 36.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.286 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.583 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 34.2 p90 -89.14 -42.8 11.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.5 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 17.6 mmtt -61.78 125.57 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 m -59.17 160.17 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 6.1 tp -59.91 -66.27 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.839 ' HA ' HD12 ' A' ' 47' ' ' ILE . 2.2 m -57.0 -49.45 75.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' THR . 31.2 t -38.24 -48.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.2 mt -63.34 -38.13 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 44' ' ' THR . 63.0 mt -60.23 -54.67 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ILE . 27.8 mt-10 -36.33 -53.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -48.18 -44.04 32.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.988 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' ILE . 26.0 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.945 0.402 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.66 -54.99 18.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -55.93 -55.31 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.65 -43.71 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.36 -56.37 15.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.97 -47.17 78.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mt -49.04 -35.78 16.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CE2' ' CD1' ' A' ' 49' ' ' TYR . 93.2 t80 -69.41 -62.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -37.83 -50.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.79 -31.32 68.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -61.0 -31.28 70.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 tp -82.68 -24.35 33.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -86.78 -32.13 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 26' ' ' TYR . 7.4 tmtm? -84.59 -63.66 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 2.8 m-85 -78.25 -59.39 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.02 -147.61 18.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.415 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -77.3 47.13 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.798 0.333 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -125.49 71.45 1.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.659 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.4 m-85 -51.2 -31.14 19.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -58.31 -58.03 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.516 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 6.4 t0 -52.16 -50.84 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.536 HG23 ' CB ' ' A' ' 37' ' ' PHE . 63.5 mt -53.75 -71.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.49 ' HB2' HD12 ' A' ' 46' ' ' ILE . 42.6 ttp85 -44.47 -22.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 33' ' ' ILE . 1.1 tp-100 -65.53 -63.95 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.1 m-20 -106.14 -57.88 1.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 8.1 m-85 -34.79 -67.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 mt -134.46 93.37 18.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.63 0.728 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -13.86 35.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.728 2.286 . . . . 0.0 112.394 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 38.5 p90 -101.97 38.42 1.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -137.73 157.15 47.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.5 m -93.7 168.43 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -64.34 -58.44 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.642 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -68.75 -49.64 57.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.9 m -37.6 -56.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.796 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.49 HD12 ' HB2' ' A' ' 34' ' ' ARG . 96.2 mt -55.59 -38.2 48.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.659 HD11 ' CD2' ' A' ' 30' ' ' PHE . 81.5 mt -61.01 -53.02 54.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ILE . 40.7 mt-10 -35.24 -49.32 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.511 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 7.5 t80 -50.79 -44.43 58.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 56.0 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.936 0.398 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.85 -50.75 71.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.8 p -54.85 -46.4 74.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -51.56 52.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.52 -46.48 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.7 t -62.42 -46.15 89.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.3 -41.77 72.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 42.9 t80 -56.84 -59.42 5.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -42.65 -59.98 1.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.41 -33.4 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -57.58 -42.04 82.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.14 -40.11 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.79 -40.55 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -81.5 -63.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 7.2 m-85 -84.5 -62.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.64 -152.8 19.18 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 6.3 tmtt? -40.64 -30.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -58.45 90.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 4.2 m-85 -72.08 -36.13 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -54.56 -61.09 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.559 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 73.0 m-20 -45.1 -45.42 11.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.678 HG23 ' CB ' ' A' ' 37' ' ' PHE . 19.6 mt -67.31 -68.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' NE ' HD23 ' A' ' 43' ' ' LEU . 20.9 ttp180 -44.46 -23.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -66.88 -64.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' PHE . 4.3 m-20 -102.79 -60.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.678 ' CB ' HG23 ' A' ' 33' ' ' ILE . 11.1 m-85 -35.87 -62.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mt -135.0 93.58 17.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -49.61 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.262 . . . . 0.0 112.322 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.1 p90 -58.42 -46.7 85.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 19.7 mmtm -56.64 151.58 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -86.13 178.45 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD23 ' NE ' ' A' ' 34' ' ' ARG . 1.2 tm? -74.62 -58.26 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.862 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -65.54 -48.85 71.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -38.15 -54.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -59.47 -34.13 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 44' ' ' THR . 74.8 mt -64.74 -53.0 47.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' ILE . 38.7 mt-10 -34.98 -47.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -62.47 -44.74 95.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' ILE . 12.0 t80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.17 -47.44 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -58.2 -56.78 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' OE1' ' CD2' ' A' ' 38' ' ' LEU . 15.9 mm-40 -55.26 -41.47 72.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.76 -58.08 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.1 m -48.11 -48.73 33.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.952 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.67 -53.91 33.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 36.6 t80 -46.58 -64.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -40.66 -63.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.96 -20.03 48.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.597 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -76.1 -38.05 57.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.87 -38.02 64.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.62 -32.57 71.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -83.26 -63.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 2.5 m-85 -72.98 -67.07 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.67 -141.91 14.85 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -79.4 44.48 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.37 81.8 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.847 ' CD2' HD11 ' A' ' 47' ' ' ILE . 2.8 m-85 -53.86 -36.25 62.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -60.12 -59.05 6.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.563 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 1.4 m-20 -44.67 -37.46 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.447 HG12 ' HB1' ' A' ' 22' ' ' ALA . 46.7 mt -77.03 -68.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 49.2 ttt-85 -48.18 -20.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -66.49 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -103.48 -62.08 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 6.9 m-85 -34.17 -63.92 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.587 HD13 ' HG3' ' A' ' 41' ' ' LYS . 6.8 mt -134.54 94.23 17.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -36.27 11.19 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 41' ' ' LYS . 42.4 p90 -70.8 -46.29 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HG3' HD13 ' A' ' 38' ' ' LEU . 30.1 mmtm -50.79 153.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.461 ' O ' HD12 ' A' ' 46' ' ' ILE . 5.6 m -88.9 166.88 13.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.458 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -63.68 -59.16 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.554 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.3 m -68.72 -46.95 67.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.6 p -39.31 -44.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 21.3 mt -69.92 -37.3 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.847 HD11 ' CD2' ' A' ' 30' ' ' PHE . 97.1 mt -59.71 -55.69 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' ILE . 33.6 mt-10 -34.41 -57.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -41.21 -50.78 3.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.7 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.88 -56.17 1.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 t -59.46 -46.14 89.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -50.45 -52.86 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.29 -66.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' LEU . 32.5 m -41.81 -60.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.427 HD13 HD21 ' A' ' 38' ' ' LEU . 5.8 mt -35.38 -64.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' LEU . 27.6 t80 -36.92 -62.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -44.82 -40.23 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -73.6 -42.68 61.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.697 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -52.33 -41.38 62.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 27' ' ' GLY . 8.0 tp -68.55 -60.38 2.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -51.62 -37.17 48.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -76.6 -63.43 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.504 ' CZ ' ' OD1' ' A' ' 32' ' ' ASP . 4.2 m-85 -83.95 -62.22 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.499 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 118.94 -142.81 17.04 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.47 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -75.89 48.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.26 76.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.714 ' CD2' HD11 ' A' ' 47' ' ' ILE . 5.9 m-85 -58.43 -20.97 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -68.77 -61.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 6.9 t0 -52.49 -37.91 58.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.697 HG12 ' HB1' ' A' ' 22' ' ' ALA . 32.9 mt -68.56 -68.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -47.3 -21.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.416 ' OE1' ' CG ' ' A' ' 36' ' ' ASP . 1.4 tm0? -68.9 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.4 m-20 -100.03 -62.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.935 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 9.3 m-85 -35.68 -62.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD13 ' HG3' ' A' ' 41' ' ' LYS . 6.6 mt -135.02 93.67 16.98 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.685 0.755 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -37.04 9.67 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.625 2.216 . . . . 0.0 112.391 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.512 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 44.9 p90 -72.41 -45.11 61.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HG3' HD13 ' A' ' 38' ' ' LEU . 59.8 mmtt -52.05 151.93 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 m -85.15 178.16 7.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 43' ' ' LEU . 1.6 tm? -74.29 -57.17 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.533 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.6 m -71.81 -47.74 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -37.8 -53.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.2 mt -57.02 -34.86 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.224 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 30' ' ' PHE . 93.1 mt -66.74 -50.73 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.086 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ILE . 23.8 mt-10 -34.15 -47.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.55 -44.81 77.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 47' ' ' ILE . 50.7 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' ALA . 1.2 t . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.895 0.379 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -35.38 -60.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.6 m -43.98 -50.8 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.06 -52.9 60.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.8 -49.02 5.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 t -65.16 -45.64 84.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -48.99 -41.68 35.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 73.0 t80 -60.3 -64.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' PHE . 12.4 mt-10 -35.8 -56.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.9 pt-20 -63.7 -33.95 76.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -55.98 -49.33 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -63.25 -36.42 83.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.09 -40.78 82.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -78.65 -63.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.587 ' CE1' ' OD2' ' A' ' 32' ' ' ASP . 12.2 m-85 -87.43 -64.55 1.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 106.26 -155.68 16.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 12.9 mmmm -38.97 -26.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLY . 14.3 t0 -62.57 87.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 47' ' ' ILE . 3.9 m-85 -71.82 -36.22 70.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -51.94 -57.81 8.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.587 ' OD2' ' CE1' ' A' ' 26' ' ' TYR . 7.0 t0 -49.81 -50.06 46.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.655 HG23 ' CB ' ' A' ' 37' ' ' PHE . 18.6 mt -60.39 -69.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.23 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 21.1 ttt180 -45.22 -22.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -69.02 -64.01 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 37' ' ' PHE . 8.9 m-20 -101.77 -60.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.655 ' CB ' HG23 ' A' ' 33' ' ' ILE . 11.0 m-85 -36.06 -66.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.55 HD13 ' HG3' ' A' ' 41' ' ' LYS . 9.3 mt -132.3 93.22 26.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -29.96 22.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 35.9 p90 -77.45 -44.97 27.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 38' ' ' LEU . 16.0 mmtm -54.66 152.08 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.616 ' O ' HD12 ' A' ' 46' ' ' ILE . 31.5 m -84.12 174.5 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.744 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -71.0 -60.13 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.821 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.3 m -67.14 -48.55 67.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' THR . 85.7 p -37.77 -53.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 42' ' ' SER . 18.9 mt -57.56 -37.51 58.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 44' ' ' THR . 65.8 mt -61.62 -55.19 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 47' ' ' ILE . 36.2 mt-10 -36.2 -47.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 8.5 t80 -50.3 -44.85 54.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 47' ' ' ILE . 69.3 t80 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.3 p . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.76 -54.3 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.4 p -54.71 -47.64 73.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -61.08 2.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.79 -63.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.52 -55.52 18.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' PHE . 8.4 mt -42.52 -62.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 41.9 t80 -36.16 -67.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -40.46 -45.62 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.95 -35.69 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.931 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -59.41 -43.08 93.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 27' ' ' GLY . 8.1 tp -68.06 -56.21 9.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -53.63 -37.19 62.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -77.61 -63.63 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 3.8 m-85 -79.77 -64.97 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 119.04 -141.62 16.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 48.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -133.95 79.06 1.8 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CD2' HD11 ' A' ' 47' ' ' ILE . 4.7 m-85 -55.28 -30.56 60.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -59.13 -63.02 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 76.1 m-20 -45.23 -43.58 10.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.931 HG12 ' HB1' ' A' ' 22' ' ' ALA . 38.4 mt -67.2 -71.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.468 ' HB2' HD12 ' A' ' 46' ' ' ILE . 53.7 ttt-85 -45.6 -21.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 33' ' ' ILE . 44.3 tt0 -67.38 -63.56 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.5 m-20 -103.44 -61.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 7.5 m-85 -35.54 -62.58 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.618 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.3 mt -134.99 93.61 17.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.569 0.7 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.45 3.38 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.473 ' NE1' ' HG2' ' A' ' 41' ' ' LYS . 43.8 p90 -67.24 -44.32 79.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.618 ' HG3' HD13 ' A' ' 38' ' ' LEU . 37.8 mmtt -49.95 159.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -92.39 174.5 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.36 -59.59 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.71 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.3 m -68.87 -48.28 63.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.5 m -38.25 -50.8 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.468 HD12 ' HB2' ' A' ' 34' ' ' ARG . 73.1 mt -60.48 -35.59 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 44' ' ' THR . 84.9 mt -63.39 -45.68 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -42.43 -46.54 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 4.1 t80 -54.62 -43.1 71.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 71.1 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.942 0.401 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.51 -62.66 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.7 m -56.83 -44.84 82.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -52.56 -49.35 65.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.56 -65.26 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.8 m -46.76 -55.52 7.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -36.75 -54.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -45.57 -63.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -42.99 -40.61 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' GLU . 4.2 mm-40 -69.63 -50.33 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.678 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -43.02 -53.65 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 27' ' ' GLY . 10.0 tp -58.06 -26.32 62.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.7 mm-40 -81.9 -42.83 18.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -76.28 -63.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -83.88 -68.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.443 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 125.6 -143.24 14.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -78.46 45.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.765 0.317 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' ASN . 5.1 m-20 -121.19 56.46 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 47' ' ' ILE . 5.4 m-85 -34.13 -33.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' ASP . 34.5 m-80 -61.05 -56.85 16.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -54.8 -36.67 65.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.678 HG12 ' HB1' ' A' ' 22' ' ' ALA . 15.3 mt -71.61 -69.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 32.7 ttt180 -46.49 -21.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.07 -64.24 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.94 -60.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.7 m-85 -33.34 -65.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.98 94.28 16.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.95 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.376 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.0 p90 -58.17 -49.31 77.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 15.8 mmtm -58.25 144.42 41.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -77.91 165.37 24.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 8.2 tt -66.79 -64.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.659 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -54.42 -51.14 65.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.5 m -41.48 -41.57 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.0 mt -68.43 -36.76 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 44' ' ' THR . 63.7 mt -62.84 -52.76 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ILE . 38.9 mt-10 -34.76 -59.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -43.83 -44.9 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' ILE . 28.9 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.901 0.381 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.65 -57.72 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m -47.9 -48.52 31.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.13 -41.04 97.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.22 -51.17 14.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.05 -50.46 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' PHE . 10.0 mt -44.63 -64.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 49' ' ' TYR . 42.4 t80 -34.93 -65.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -42.21 -46.76 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.71 -46.64 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.779 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -46.92 -58.16 4.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.171 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.559 HD21 ' CE1' ' A' ' 50' ' ' TYR . 9.1 tp -54.82 -35.71 64.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -66.33 -45.49 80.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -78.68 -63.62 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 10.9 m-85 -81.91 -66.86 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 104.84 -151.2 17.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.528 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 3.3 mmtp -39.24 -26.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.708 0.29 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' GLY . 4.2 m-20 -64.27 90.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 47' ' ' ILE . 3.4 m-85 -72.79 -35.05 67.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -56.77 -61.06 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -45.29 -40.65 7.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.779 HG12 ' HB1' ' A' ' 22' ' ' ALA . 18.4 mt -69.55 -73.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.431 ' NH1' ' HA ' ' A' ' 42' ' ' SER . 14.6 ttt85 -44.58 -25.7 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.8 -64.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.6 m-20 -103.01 -62.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.8 m-85 -33.18 -64.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.68 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.7 mt -135.03 94.75 15.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -36.28 11.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 41' ' ' LYS . 43.5 p90 -74.66 -44.3 51.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.68 ' HG3' HD13 ' A' ' 38' ' ' LEU . 30.9 mmtm -50.22 152.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.431 ' HA ' ' NH1' ' A' ' 34' ' ' ARG . 1.6 m -83.76 148.95 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.576 HD13 ' C ' ' A' ' 43' ' ' LEU . 2.7 tm? -55.41 -65.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 47' ' ' ILE . 22.5 m -59.32 -51.91 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' THR . 12.5 t -37.55 -52.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.3 mt -55.29 -36.92 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.642 HD11 ' CD2' ' A' ' 30' ' ' PHE . 80.5 mt -60.69 -58.16 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ILE . 63.0 mt-10 -34.53 -61.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -35.45 -47.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CE1' HD21 ' A' ' 23' ' ' LEU . 37.9 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.794 0.331 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.38 -60.28 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -48.83 -42.96 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.81 -50.56 66.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.24 -60.56 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.5 t -53.81 -47.6 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.607 HD13 HD21 ' A' ' 38' ' ' LEU . 5.2 mt -48.4 -38.73 20.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE2' ' CD1' ' A' ' 49' ' ' TYR . 84.4 t80 -66.63 -64.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' PHE . 25.6 mt-10 -37.75 -48.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.5 pt-20 -70.53 -33.22 70.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.564 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -58.97 -37.43 76.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.18 -33.7 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.93 -24.79 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -83.42 -63.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 10.9 m-85 -89.63 -62.7 1.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.29 -147.31 16.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -76.88 49.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' PHE . 7.6 t0 -126.96 60.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.519 ' CE2' HG12 ' A' ' 47' ' ' ILE . 1.6 m-85 -34.69 -38.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -54.96 -66.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -43.81 -37.83 2.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.558 HG23 ' CB ' ' A' ' 37' ' ' PHE . 17.2 mt -73.46 -72.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 39.1 ttt-85 -41.32 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' ILE . 56.8 tt0 -64.94 -64.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' PHE . 4.9 m-20 -102.55 -61.78 1.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 8.5 m-85 -34.03 -63.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 18' ' ' LEU . 8.0 mt -135.06 94.32 16.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -44.69 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.65 2.233 . . . . 0.0 112.452 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.488 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 41.4 p90 -62.32 -48.51 79.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.488 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 33.4 mmtt -53.73 155.1 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -91.61 161.63 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 9.8 tp -61.29 -64.86 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.855 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.2 m -60.06 -45.3 93.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.5 p -44.47 -45.21 9.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.81 -33.03 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' A' ' 44' ' ' THR . 68.1 mt -63.39 -58.65 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ILE . 26.7 mt-10 -34.45 -49.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 11.8 t80 -48.69 -48.25 40.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' ILE . 53.4 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.936 0.398 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.03 -53.45 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.1 p -53.49 -47.47 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.496 ' OE1' ' CD2' ' A' ' 38' ' ' LEU . 44.3 mm-40 -58.95 -43.99 91.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.66 -55.92 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 m -50.21 -50.94 47.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mt -48.47 -41.48 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 41.0 t80 -58.33 -63.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -38.46 -59.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.19 -32.23 72.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -58.76 -25.61 63.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 23' ' ' LEU . 10.0 tp -84.9 -47.32 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.52 -36.28 80.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -80.78 -63.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 3.4 m-85 -84.81 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 108.47 -161.17 13.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -37.35 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 27' ' ' GLY . 8.0 t0 -57.26 93.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.618 ' CD2' HD11 ' A' ' 47' ' ' ILE . 5.9 m-85 -74.72 -36.42 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -57.07 -61.88 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.475 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -42.45 -48.67 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.572 HG23 ' CB ' ' A' ' 37' ' ' PHE . 19.1 mt -63.96 -72.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 37.4 ttt180 -42.61 -24.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ILE . 12.7 tt0 -64.15 -64.26 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.8 m-20 -103.1 -61.38 1.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CB ' HG23 ' A' ' 33' ' ' ILE . 12.9 m-85 -33.24 -67.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.496 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 8.8 mt -132.86 94.52 20.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -41.58 4.25 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.371 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 41.2 p90 -67.68 -46.14 73.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 30.5 mmtm -54.96 139.02 42.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -70.11 164.58 23.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 9.3 tp -69.38 -64.79 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.703 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -59.7 -47.51 85.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 t -41.43 -42.94 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mt -71.79 -30.41 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 44' ' ' THR . 75.5 mt -64.02 -56.86 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -43.7 -35.19 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -64.89 -36.74 85.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.3 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.938 0.399 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.24 -54.15 40.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.1 m -48.2 -63.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -54.15 -42.7 69.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.67 -52.33 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.5 m -60.44 -54.15 48.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -39.42 -53.52 2.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 69.5 t80 -46.32 -59.1 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.812 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.12 -43.61 20.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.26 -47.65 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -47.16 -60.3 2.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 tp -41.17 -39.72 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -43.99 65.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -74.08 -63.78 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.954 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -89.72 -68.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 119.92 -167.62 13.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.512 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 9.7 tmtt? -35.99 -31.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLY . 3.0 m-20 -61.79 89.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.881 ' HA ' HD12 ' A' ' 33' ' ' ILE . 5.5 m-85 -74.16 -33.04 63.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -44.64 -53.26 7.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -65.1 -31.27 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' A' ' 30' ' ' PHE . 44.6 mt -71.24 -66.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HD3' ' C ' ' A' ' 42' ' ' SER . 27.2 ttp180 -48.15 -20.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.5 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.3 m-20 -102.4 -62.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.46 ' CB ' HG23 ' A' ' 33' ' ' ILE . 7.8 m-85 -34.89 -62.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.96 94.08 16.67 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.642 0.734 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 53.8 Cg_endo -69.76 -46.94 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.391 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.8 p90 -58.21 -46.77 85.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 23.1 mmtm -52.26 154.52 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.571 ' O ' HD12 ' A' ' 46' ' ' ILE . 1.8 m -92.26 -179.34 5.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.555 HD13 ' C ' ' A' ' 43' ' ' LEU . 2.3 tm? -72.63 -57.31 4.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.551 HG23 HD12 ' A' ' 47' ' ' ILE . 1.1 m -76.27 -39.83 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.2 t -43.84 -36.76 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 42' ' ' SER . 18.1 mt -80.53 -26.26 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 30' ' ' PHE . 65.8 mt -62.83 -52.37 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -45.24 -48.81 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 21.5 t80 -51.25 -47.53 62.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.8 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 -179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.872 0.368 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.48 57.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -45.52 -55.86 5.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.54 -51.41 65.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.72 -55.59 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.7 m -61.02 -47.43 86.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mt -48.87 -42.16 35.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.519 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 70.4 t80 -59.26 -67.33 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' PHE . 44.7 mt-10 -35.5 -60.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.71 -34.67 71.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -56.47 -49.89 73.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 27' ' ' GLY . 10.1 tp -65.27 -19.52 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -85.32 -38.87 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -81.59 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 11.7 m-85 -80.85 -64.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.421 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 116.77 -144.44 18.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -76.06 48.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.54 66.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.734 ' CD2' HD11 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -43.98 -39.7 4.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -47.1 -58.67 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.5 -57.92 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.646 HG23 ' CB ' ' A' ' 37' ' ' PHE . 25.4 mt -49.5 -69.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HB2' HD12 ' A' ' 46' ' ' ILE . 26.7 ttp85 -46.55 -21.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -69.55 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.66 -56.49 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.646 ' CB ' HG23 ' A' ' 33' ' ' ILE . 7.4 m-85 -39.96 -61.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.4 mt -135.01 91.24 19.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.67 0.748 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.29 22.19 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 38.9 p90 -79.3 -43.61 23.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HG3' HD13 ' A' ' 38' ' ' LEU . 51.3 mmtt -55.12 148.9 13.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -84.69 165.57 17.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.44 HD13 ' C ' ' A' ' 43' ' ' LEU . 1.2 tm? -58.81 -64.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.553 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.6 m -64.64 -46.9 80.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -37.82 -49.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 34' ' ' ARG . 60.3 mt -63.1 -38.82 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.734 HD11 ' CD2' ' A' ' 30' ' ' PHE . 82.1 mt -61.39 -55.49 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' ILE . 21.6 mt-10 -34.52 -49.3 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.4 t80 -54.14 -48.51 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 49' ' ' TYR . 33.0 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.87 0.366 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.93 -52.59 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.3 p -58.21 -50.83 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -54.31 -55.29 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.86 -43.12 28.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.7 t -67.23 -46.7 73.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 12.0 mt -48.72 -42.88 36.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 33.8 t80 -53.38 -61.09 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -41.07 -60.21 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 11.9 pt-20 -59.97 -39.1 84.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -51.79 -40.43 60.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tp -73.6 -37.12 65.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.81 -36.12 79.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -84.59 -63.61 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 32' ' ' ASP . 4.8 m-85 -81.51 -68.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 118.46 -163.43 13.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.508 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -40.15 -25.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.561 ' O ' HD12 ' A' ' 33' ' ' ILE . 7.6 m-20 -61.86 108.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' HG12 ' A' ' 47' ' ' ILE . 4.6 m-85 -86.46 -32.65 20.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -54.49 -68.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 2.5 p30 -40.66 -49.24 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.606 HG23 ' CB ' ' A' ' 37' ' ' PHE . 39.8 mt -61.82 -70.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 23.4 ttt-85 -43.18 -24.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' ILE . 4.3 tp60 -64.59 -64.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 37' ' ' PHE . 8.1 m-20 -100.73 -62.37 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CB ' HG23 ' A' ' 33' ' ' ILE . 12.2 m-85 -32.65 -66.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.4 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 8.1 mt -135.02 94.77 15.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.78 0.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 42.6 p90 -56.59 -48.91 76.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 36.3 mmtt -55.44 145.18 23.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 m -77.33 169.77 17.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 11.0 tp -70.26 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.789 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -62.25 -47.26 85.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 m -39.83 -44.06 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.64 -38.43 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 44' ' ' THR . 79.8 mt -57.24 -50.03 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.7 mt-10 -34.83 -51.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.47 -48.81 73.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' ILE . 18.3 t80 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . -45.74 -55.5 6.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.4 t -48.92 -61.71 1.91 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' OE1' HD12 ' A' ' 18' ' ' LEU . 27.3 mm-40 -48.29 -46.59 36.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -41.08 -47.09 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.31 -51.27 70.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD12 ' OE1' ' A' ' 15' ' ' GLU . 10.5 mt -47.19 -36.44 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -60.28 -58.13 9.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -46.5 -56.12 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.49 -40.16 96.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -50.43 -45.08 55.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 tp -67.84 -40.08 83.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.3 -38.44 90.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -83.86 -63.08 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 4.1 m-85 -82.95 -64.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 103.02 -159.89 17.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 10.4 mtpt -36.18 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLY . 28.6 m-20 -59.0 87.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.752 ' CD2' HD11 ' A' ' 47' ' ' ILE . 3.3 m-85 -72.19 -36.63 69.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -48.94 -64.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 61.0 m-20 -45.36 -50.88 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 30' ' ' PHE . 20.2 mt -55.97 -72.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.558 ' HB2' HD12 ' A' ' 46' ' ' ILE . 40.6 ttt180 -44.88 -25.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -63.9 -64.29 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -102.92 -61.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 13.8 m-85 -34.14 -63.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mt -135.07 94.38 16.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.94 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.607 2.205 . . . . 0.0 112.29 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 40.4 p90 -60.76 -42.07 96.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 39.4 mmtm -59.55 157.91 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -88.72 179.26 6.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 43' ' ' LEU . 2.4 tm? -77.81 -56.18 4.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.541 ' HA ' HD12 ' A' ' 47' ' ' ILE . 12.9 m -71.09 -45.78 63.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 m -39.78 -47.87 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 34' ' ' ARG . 65.7 mt -63.12 -35.16 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.752 HD11 ' CD2' ' A' ' 30' ' ' PHE . 85.9 mt -63.68 -56.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ILE . 28.5 mt-10 -35.02 -44.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -57.36 -51.14 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.968 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ILE . 38.8 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' ALA . 10.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.899 0.381 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -38.08 -61.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -43.57 -51.89 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.55 -55.2 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.49 -61.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.1 t -49.93 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' PHE . 6.4 mt -38.17 -61.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 40.8 t80 -37.07 -64.64 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -42.32 -46.4 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -65.4 -50.16 66.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -43.29 -57.78 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tp -52.99 -24.8 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -87.8 -35.86 17.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -78.57 -63.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -81.54 -63.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.01 -145.1 15.55 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -75.98 48.48 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.39 90.04 2.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.843 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.1 m-85 -64.01 -40.82 97.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -45.09 -69.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -43.56 -54.22 5.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 ' CB ' ' A' ' 37' ' ' PHE . 65.8 mt -51.93 -65.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 42' ' ' SER . 49.3 ttt180 -48.13 -20.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.69 -63.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.49 -60.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CB ' HG23 ' A' ' 33' ' ' ILE . 7.6 m-85 -36.27 -62.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.576 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.7 mt -134.98 93.32 17.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -37.44 9.16 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.65 2.233 . . . . 0.0 112.309 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 38.9 p90 -70.84 -40.62 72.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.576 ' HG3' HD13 ' A' ' 38' ' ' LEU . 4.2 mmpt? -56.62 161.41 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.441 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 8.7 m -102.1 163.79 12.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.442 HD13 ' C ' ' A' ' 43' ' ' LEU . 1.1 tm? -56.12 -57.55 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.548 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.9 m -72.7 -47.85 43.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.4 m -37.64 -48.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.5 mt -64.25 -38.97 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.843 HD11 ' CD2' ' A' ' 30' ' ' PHE . 91.6 mt -61.11 -52.47 61.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' ILE . 7.7 mt-10 -35.09 -53.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -46.36 -47.73 18.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.02 -53.62 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.03 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.6 m -50.31 -55.13 16.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -57.17 -53.23 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.24 32.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.5 m -59.07 -43.16 91.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.408 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 2.9 mt -57.35 -44.73 84.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.536 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 66.7 t80 -54.26 -66.58 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' PHE . 43.8 mt-10 -35.03 -61.76 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 8.3 pt-20 -58.68 -34.73 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -55.55 -36.37 66.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.502 HD21 ' CE1' ' A' ' 50' ' ' TYR . 9.5 tp -77.66 -30.24 51.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -77.41 -34.12 54.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -87.31 -63.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 3.2 m-85 -78.28 -65.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.11 -148.79 18.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -75.51 49.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ASN . 0.9 OUTLIER -124.77 56.34 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.4 m-85 -34.49 -32.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ASP . 1.9 p30 -59.87 -62.78 1.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -50.19 -33.43 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.467 HG23 ' CB ' ' A' ' 37' ' ' PHE . 35.7 mt -74.52 -72.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 25.8 ttt180 -44.79 -23.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -67.0 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.2 m-20 -102.56 -60.36 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.542 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 5.8 m-85 -36.53 -62.5 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.988 0.423 . . . . 0.0 110.982 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.677 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.0 mt -134.69 93.17 18.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.645 0.736 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -27.68 26.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.494 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.9 p90 -82.21 -42.55 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.677 ' HG3' HD13 ' A' ' 38' ' ' LEU . 23.5 mmtt -54.57 154.17 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.9 m -92.33 149.06 21.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -62.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.965 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.2 m -62.11 -54.07 46.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' THR . 31.2 t -37.63 -54.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 21.1 mt -55.73 -35.53 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.965 HD12 ' HA ' ' A' ' 44' ' ' THR . 50.2 mt -64.88 -53.15 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.4 mt-10 -35.19 -49.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.34 -45.63 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CE1' HD21 ' A' ' 23' ' ' LEU . 63.2 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.5 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.796 0.331 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.82 -53.53 55.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 m -57.22 -55.14 38.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -54.05 -48.97 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.59 -61.82 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -47.13 -45.95 22.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 HD21 ' A' ' 38' ' ' LEU . 9.5 mt -51.58 -44.84 62.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.692 ' CD2' ' CE1' ' A' ' 49' ' ' TYR . 70.8 t80 -64.23 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' PHE . 2.5 mm-40 -37.18 -50.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.5 pt-20 -69.25 -33.6 73.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.65 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -57.88 -48.31 80.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 27' ' ' GLY . 10.8 tp -63.15 -23.59 67.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -86.25 -38.48 17.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -78.4 -63.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 32' ' ' ASP . 7.1 m-85 -81.44 -64.78 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 122.49 -146.87 16.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -77.1 47.28 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -126.11 74.6 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.694 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -48.32 -39.78 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -53.63 -56.53 16.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 7.5 t0 -50.7 -52.77 37.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.65 HG12 ' HB1' ' A' ' 22' ' ' ALA . 15.1 mt -58.88 -68.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 36.9 ttt-85 -45.13 -22.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 33' ' ' ILE . 18.7 tt0 -65.71 -64.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.6 m-20 -105.89 -57.79 2.0 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.647 ' CB ' HG23 ' A' ' 33' ' ' ILE . 5.4 m-85 -35.72 -65.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.605 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.6 mt -135.07 92.93 17.69 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -25.6 28.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.738 2.292 . . . . 0.0 112.384 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.592 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 35.6 p90 -82.26 -40.72 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HG3' HD13 ' A' ' 38' ' ' LEU . 26.6 mmtp -60.84 128.32 35.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' HD12 ' A' ' 46' ' ' ILE . 3.4 p -58.8 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 43' ' ' LEU . 1.6 tm? -82.39 -54.37 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.66 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.9 m -68.19 -48.26 65.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' THR . 9.4 t -37.58 -57.43 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 42' ' ' SER . 22.5 mt -51.5 -38.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.694 HD11 ' CD2' ' A' ' 30' ' ' PHE . 72.7 mt -63.91 -57.08 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.6 mt-10 -36.47 -52.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.692 ' CE1' ' CD2' ' A' ' 19' ' ' PHE . 4.2 t80 -45.82 -44.3 14.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ILE . 91.6 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -140.67 168.75 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 110.874 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -137.85 157.74 45.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.07 123.58 1.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.452 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -51.8 103.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -159.72 154.95 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.34 -118.27 9.16 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.557 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -134.11 130.21 37.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -44.04 138.52 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -137.36 106.22 5.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -91.24 174.83 7.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -116.82 147.73 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.23 -53.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -57.82 -46.38 84.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -58.28 -48.21 81.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.65 -56.11 17.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.051 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.0 m -53.92 -44.29 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.02 -47.86 61.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.563 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 67.3 t80 -59.34 -62.49 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -40.47 -60.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.36 -28.05 64.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 19' ' ' PHE . . . -65.04 -36.16 83.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.081 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 27' ' ' GLY . 9.8 tp -70.83 -51.78 24.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -58.46 -33.86 70.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -82.63 -63.52 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -83.22 -66.09 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.537 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 120.87 -147.36 17.61 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.448 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -75.78 48.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.69 69.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.7 ' CD2' HD11 ' A' ' 47' ' ' ILE . 2.2 m-85 -46.53 -33.31 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.89 -60.52 3.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -48.82 -40.19 28.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 ' CB ' ' A' ' 37' ' ' PHE . 22.7 mt -70.51 -67.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 48.3 ttt180 -47.25 -21.42 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.814 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -67.44 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.62 -60.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.3 m-85 -36.3 -62.6 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 mt -134.97 93.16 17.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.631 0.729 . . . . 0.0 110.961 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -45.31 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.367 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.549 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.2 p90 -62.87 -48.01 80.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 34.4 mmtt -53.89 156.31 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -92.7 167.83 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -64.13 -61.26 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.82 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.791 ' HA ' HD12 ' A' ' 47' ' ' ILE . 2.2 m -66.42 -48.78 68.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.9 m -39.87 -42.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.45 -36.15 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 44' ' ' THR . 58.2 mt -63.83 -52.75 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' ILE . 22.2 mt-10 -34.46 -55.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 50' ' ' TYR . 11.7 t80 -48.06 -51.48 24.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' TYR . 92.0 t80 -34.46 -50.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -57.48 -53.23 60.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -56.78 -30.09 63.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -75.02 -43.67 52.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.28 -26.01 61.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.6 p -88.52 14.68 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.5 p -66.41 -176.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.7 t0 67.69 32.93 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 59' ' ' TYR . 10.4 mmm180 -96.84 100.38 11.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 34.41 52.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.7 p -81.33 -31.6 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -94.11 162.5 13.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -86.62 158.14 19.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -67.09 154.99 39.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -152.13 149.46 28.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.9 p -79.94 156.5 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.3 -158.44 10.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 -19.53 36.28 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.435 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 70.3 m 48.09 43.1 18.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -88.64 124.57 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -92.56 146.09 23.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 110.954 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -100.6 99.39 9.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.65 -145.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -130.06 -44.11 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 p -155.09 130.65 9.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.07 167.93 0.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 tpt -109.29 93.93 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.719 0.295 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -133.16 117.55 17.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -113.53 117.68 32.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' CH2' ' CE ' ' A' ' 41' ' ' LYS . 17.1 m95 -112.47 118.09 34.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 t -80.36 150.85 29.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -43.1 -62.4 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -38.74 -51.33 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.41 -58.92 4.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -37.23 -54.76 1.03 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -55.86 -55.56 31.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 10.0 mt -42.03 -46.04 4.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 47.2 t80 -59.82 -56.81 17.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -43.43 -54.47 4.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 11.4 pt-20 -64.12 -40.74 96.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -51.76 -58.9 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -43.92 -37.87 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -83.45 -29.33 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -69.63 -63.89 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -96.1 -64.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.59 -163.56 25.2 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 7.2 mmmm -46.87 -20.45 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.777 0.322 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -61.36 98.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.629 ' CD2' HD11 ' A' ' 47' ' ' ILE . 4.7 m-85 -75.04 -25.55 58.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.77 -68.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -38.38 -48.18 1.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.588 HG23 ' CB ' ' A' ' 37' ' ' PHE . 16.8 mt -63.35 -66.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.17 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 12.8 ttp180 -47.61 -21.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.838 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -69.75 -64.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' PHE . 5.0 m-20 -99.48 -62.34 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.588 ' CB ' HG23 ' A' ' 33' ' ' ILE . 9.7 m-85 -36.09 -63.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.639 HD13 ' HG3' ' A' ' 41' ' ' LYS . 9.3 mt -133.39 93.36 22.09 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.646 0.736 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -36.18 11.3 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.7 p90 -73.77 -44.1 57.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.639 ' HG3' HD13 ' A' ' 38' ' ' LEU . 24.1 mmmt -53.41 149.05 8.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 46' ' ' ILE . 1.8 m -80.9 -179.4 7.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.801 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 43' ' ' LEU . 2.2 tm? -77.4 -57.34 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.722 ' HA ' HD12 ' A' ' 47' ' ' ILE . 8.8 m -69.78 -48.33 59.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' THR . 4.6 t -37.79 -54.06 1.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.486 HD12 ' O ' ' A' ' 42' ' ' SER . 44.2 mt -55.63 -36.05 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.722 HD12 ' HA ' ' A' ' 44' ' ' THR . 77.5 mt -63.02 -52.54 57.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ILE . 22.6 mt-10 -35.29 -50.43 0.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 7.9 t80 -48.3 -46.69 36.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' ILE . 55.6 t80 -42.56 -58.23 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -45.61 -65.11 0.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 55' ' ' THR . 21.4 ttp -48.56 -63.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -41.89 -35.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -74.33 -38.85 63.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 52' ' ' MET . 71.6 p -64.4 -44.7 90.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 66.1 p -40.73 160.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.31 46.53 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.795 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.21 -61.23 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -126.9 88.74 2.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.2 p -151.24 134.86 7.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 56.6 41.82 27.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.55 109.44 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.839 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -40.55 118.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -127.38 155.06 44.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -64.71 106.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.33 151.39 6.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 166.36 27.93 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.351 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.0 p -121.53 -35.98 3.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -53.71 120.5 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.471 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -69.03 167.43 15.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m -51.61 175.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.96 97.84 2.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.7 p -81.21 42.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.782 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -102.48 151.96 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.56 148.07 31.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.0 tpt -101.2 82.16 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.766 0.317 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -54.25 123.54 13.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -95.3 124.86 39.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -89.89 166.11 13.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.8 t -112.5 160.12 18.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.62 -58.57 6.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.2 m -48.31 -58.09 5.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -54.64 -50.08 68.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.16 -44.79 22.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.0 t -64.31 -51.88 61.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mt -47.31 -41.83 19.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 30.7 t80 -56.99 -67.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 19' ' ' PHE . 21.2 mt-10 -34.54 -60.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.906 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.83 -34.98 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.699 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -55.87 -46.4 78.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 tp -69.44 -27.04 64.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -81.73 -30.99 32.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -84.85 -63.67 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -76.88 -66.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.31 -145.71 16.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.429 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -75.73 48.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -133.15 74.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.83 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 47' ' ' ILE . 3.7 m-85 -47.72 -44.7 27.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -44.49 -61.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.67 -56.85 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.699 HG12 ' HB1' ' A' ' 22' ' ' ALA . 24.6 mt -52.3 -72.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 33.8 ttt-85 -45.2 -21.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 33' ' ' ILE . 10.6 tt0 -66.58 -64.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.0 m-20 -106.09 -56.77 2.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 9.6 m-85 -36.83 -67.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.583 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 9.2 mt -132.27 92.11 29.56 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -19.38 36.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.737 2.291 . . . . 0.0 112.286 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.583 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 34.2 p90 -89.14 -42.8 11.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.5 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 17.6 mmtt -61.78 125.57 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 m -59.17 160.17 6.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 6.1 tp -59.91 -66.27 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.839 ' HA ' HD12 ' A' ' 47' ' ' ILE . 2.2 m -57.0 -49.45 75.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.188 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' THR . 31.2 t -38.24 -48.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.2 mt -63.34 -38.13 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 44' ' ' THR . 63.0 mt -60.23 -54.67 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ILE . 27.8 mt-10 -36.33 -53.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.468 ' CZ ' ' HE1' ' A' ' 52' ' ' MET . 11.6 t80 -48.18 -44.04 32.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.988 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 47' ' ' ILE . 26.0 t80 -46.9 -50.93 17.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.944 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -55.71 -53.48 56.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.468 ' HE1' ' CZ ' ' A' ' 49' ' ' TYR . 20.1 ttp -56.51 -57.99 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -52.69 -30.51 32.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.4 -39.3 74.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.6 p -71.0 -44.62 65.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.9 p -39.47 144.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -96.83 34.6 1.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -106.4 141.26 38.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 66.56 55.08 0.82 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.2 p -144.04 153.64 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -54.44 -71.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -151.57 143.4 23.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -157.06 136.04 11.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -131.41 82.21 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.3 p -82.08 42.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.64 83.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -18.3 36.73 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.309 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 84.8 p -122.97 115.99 22.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.8 p -71.01 155.01 41.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -77.21 140.74 40.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.926 0.394 . . . . 0.0 110.899 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -132.27 150.53 52.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.09 52.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -119.75 100.62 7.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 m -83.45 132.09 34.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.35 -156.4 8.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.7 mtt -152.95 122.67 6.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.745 0.307 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 40.03 29.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -76.6 100.51 5.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -118.21 115.15 24.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 t -92.41 169.39 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.66 -54.99 18.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 t -55.93 -55.31 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.65 -43.71 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.36 -56.37 15.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 m -55.97 -47.17 78.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mt -49.04 -35.78 16.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CE2' ' CD1' ' A' ' 49' ' ' TYR . 93.2 t80 -69.41 -62.54 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -37.83 -50.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -70.79 -31.32 68.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -61.0 -31.28 70.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 tp -82.68 -24.35 33.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -86.78 -32.13 20.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 26' ' ' TYR . 7.4 tmtm? -84.59 -63.66 1.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 2.8 m-85 -78.25 -59.39 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.02 -147.61 18.89 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.415 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -77.3 47.13 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.798 0.333 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -125.49 71.45 1.22 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.659 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.4 m-85 -51.2 -31.14 19.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -58.31 -58.03 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.804 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.516 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 6.4 t0 -52.16 -50.84 60.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.536 HG23 ' CB ' ' A' ' 37' ' ' PHE . 63.5 mt -53.75 -71.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' HB2' HD12 ' A' ' 46' ' ' ILE . 42.6 ttp85 -44.47 -22.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.414 ' N ' ' C ' ' A' ' 33' ' ' ILE . 1.1 tp-100 -65.53 -63.95 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.1 m-20 -106.14 -57.88 1.99 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.553 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 8.1 m-85 -34.79 -67.0 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 mt -134.46 93.37 18.92 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.63 0.728 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -13.86 35.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.728 2.286 . . . . 0.0 112.394 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 38.5 p90 -101.97 38.42 1.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -137.73 157.15 47.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.5 m -93.7 168.43 11.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -64.34 -58.44 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.642 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -68.75 -49.64 57.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.9 m -37.6 -56.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.796 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.49 HD12 ' HB2' ' A' ' 34' ' ' ARG . 96.2 mt -55.59 -38.2 48.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.659 HD11 ' CD2' ' A' ' 30' ' ' PHE . 81.5 mt -61.01 -53.02 54.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ILE . 40.7 mt-10 -35.24 -49.32 0.49 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 53' ' ' TRP . 7.5 t80 -50.79 -44.43 58.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 47' ' ' ILE . 56.0 t80 -48.05 -37.65 15.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 55' ' ' THR . 17.6 m-85 -82.31 -45.07 15.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -63.34 -20.83 65.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.887 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.565 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 36.5 t90 -88.85 -36.93 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -76.82 -35.95 57.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 51' ' ' TYR . 60.5 p -68.53 -38.11 80.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 52' ' ' MET . 13.8 p -56.85 148.62 20.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 3.5 p-10 -81.05 46.36 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -44.9 -57.97 3.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -116.54 80.4 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.2 p -92.54 142.21 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.1 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -116.74 176.81 4.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.67 120.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.49 136.57 43.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ptt-85 -54.87 148.73 12.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 t -150.4 130.86 13.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.74 168.46 22.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 154.45 67.39 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.276 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.0 p -113.35 158.33 20.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.2 t -77.95 -45.1 24.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -82.19 155.16 25.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -96.83 173.48 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.8 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.7 86.06 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.439 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 6' ' ' SER . 32.0 p -161.77 148.27 13.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 5' ' ' SER . 37.2 t -36.29 130.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.68 -137.25 9.25 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.551 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 mmt -44.99 148.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 110.813 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -93.28 168.86 10.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -71.25 99.77 1.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -139.21 109.62 6.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -57.26 163.39 2.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.85 -50.75 71.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.8 p -54.85 -46.4 74.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -51.56 52.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.52 -46.48 13.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 36.7 t -62.42 -46.15 89.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 mt -55.3 -41.77 72.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 42.9 t80 -56.84 -59.42 5.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -42.65 -59.98 1.72 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.41 -33.4 72.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -57.58 -42.04 82.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.14 -40.11 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -62.79 -40.55 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -81.5 -63.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 7.2 m-85 -84.5 -62.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.64 -152.8 19.18 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 6.3 tmtt? -40.64 -30.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -58.45 90.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 4.2 m-85 -72.08 -36.13 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -54.56 -61.09 2.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.559 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 73.0 m-20 -45.1 -45.42 11.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.678 HG23 ' CB ' ' A' ' 37' ' ' PHE . 19.6 mt -67.31 -68.45 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' NE ' HD23 ' A' ' 43' ' ' LEU . 20.9 ttp180 -44.46 -23.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -66.88 -64.18 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' PHE . 4.3 m-20 -102.79 -60.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.678 ' CB ' HG23 ' A' ' 33' ' ' ILE . 11.1 m-85 -35.87 -62.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mt -135.0 93.58 17.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.81 -49.61 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.262 . . . . 0.0 112.322 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.1 p90 -58.42 -46.7 85.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 19.7 mmtm -56.64 151.58 13.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -86.13 178.45 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.439 HD23 ' NE ' ' A' ' 34' ' ' ARG . 1.2 tm? -74.62 -58.26 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.862 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -65.54 -48.85 71.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -38.15 -54.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -59.47 -34.13 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.862 HD12 ' HA ' ' A' ' 44' ' ' THR . 74.8 mt -64.74 -53.0 47.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 47' ' ' ILE . 38.7 mt-10 -34.98 -47.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -62.47 -44.74 95.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' ILE . 12.0 t80 -51.51 -46.44 63.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.494 ' CE2' HG22 ' A' ' 47' ' ' ILE . 21.7 m-85 -52.82 -55.03 25.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.617 ' O ' HG22 ' A' ' 56' ' ' THR . 16.5 ttp -57.6 -48.06 80.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.709 ' CH2' HG22 ' A' ' 60' ' ' VAL . 3.8 t90 -57.45 -37.35 72.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -38.21 66.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.8 p -68.89 -40.91 78.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 52' ' ' MET . 10.1 t -79.96 -28.98 39.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 54.8 38.02 29.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.543 ' H ' HG23 ' A' ' 56' ' ' THR . 23.6 tpt180 -62.17 85.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.97 51.0 4.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.917 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.709 HG22 ' CH2' ' A' ' 53' ' ' TRP . 99.5 t -103.23 -54.22 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -43.4 136.66 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -68.01 159.02 31.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -123.51 175.14 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.9 ptt85 -52.3 -47.64 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.815 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 t -83.01 43.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.7 83.49 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 -174.26 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.64 2.226 . . . . 0.0 112.367 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.7 t -77.84 138.85 39.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.9 m -98.06 155.92 16.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.928 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 51.77 42.14 29.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -167.66 119.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.82 -49.93 56.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.442 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -59.93 116.27 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.844 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -38.27 107.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.34 -64.73 1.56 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.473 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.59 172.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.676 0.274 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -138.3 138.17 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -120.93 114.23 21.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.407 ' CZ2' ' HA ' ' A' ' 46' ' ' ILE . 5.2 m95 -118.86 164.3 15.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -91.05 133.94 34.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.17 -47.44 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.047 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -58.2 -56.78 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' OE1' ' CD2' ' A' ' 38' ' ' LEU . 15.9 mm-40 -55.26 -41.47 72.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.76 -58.08 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.1 m -48.11 -48.73 33.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.952 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mt -51.67 -53.91 33.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 36.6 t80 -46.58 -64.12 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -40.66 -63.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.96 -20.03 48.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.597 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -76.1 -38.05 57.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.1 tp -73.87 -38.02 64.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.62 -32.57 71.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -83.26 -63.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 32' ' ' ASP . 2.5 m-85 -72.98 -67.07 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 121.67 -141.91 14.85 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -79.4 44.48 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -127.37 81.8 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.847 ' CD2' HD11 ' A' ' 47' ' ' ILE . 2.8 m-85 -53.86 -36.25 62.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -60.12 -59.05 6.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.563 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 1.4 m-20 -44.67 -37.46 3.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.447 HG12 ' HB1' ' A' ' 22' ' ' ALA . 46.7 mt -77.03 -68.05 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.47 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 49.2 ttt-85 -48.18 -20.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.2 tp60 -66.49 -63.66 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -103.48 -62.08 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.597 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 6.9 m-85 -34.17 -63.92 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.587 HD13 ' HG3' ' A' ' 41' ' ' LYS . 6.8 mt -134.54 94.23 17.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.717 . . . . 0.0 110.948 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -36.27 11.19 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.28 . . . . 0.0 112.347 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 41' ' ' LYS . 42.4 p90 -70.8 -46.29 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HG3' HD13 ' A' ' 38' ' ' LEU . 30.1 mmtm -50.79 153.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.461 ' O ' HD12 ' A' ' 46' ' ' ILE . 5.6 m -88.9 166.88 13.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.458 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -63.68 -59.16 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.971 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.554 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.3 m -68.72 -46.95 67.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.181 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.6 p -39.31 -44.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 21.3 mt -69.92 -37.3 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.847 HD11 ' CD2' ' A' ' 30' ' ' PHE . 97.1 mt -59.71 -55.69 22.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 47' ' ' ILE . 33.6 mt-10 -34.41 -57.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -41.21 -50.78 3.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -41.52 -55.32 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -49.6 -41.12 41.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.0 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -71.37 -46.45 60.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.933 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -52.94 -60.37 3.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.77 -40.39 63.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 51.7 p -84.51 14.39 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.447 HG22 ' HB2' ' A' ' 58' ' ' ARG . 64.0 m -86.55 -54.86 4.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 43.19 43.04 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.447 ' HB2' HG22 ' A' ' 56' ' ' THR . 10.2 tpp180 -104.86 96.49 6.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 1.7 m-85 49.16 42.5 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.544 HG12 ' HG3' ' A' ' 61' ' ' GLN . 9.8 t -150.17 149.15 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.544 ' HG3' HG12 ' A' ' 60' ' ' VAL . 34.3 mt-30 62.93 43.51 6.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -79.89 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -52.65 -44.68 66.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -41.43 -59.93 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.1 m -59.22 144.61 45.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' HD2' ' A' ' 67' ' ' PRO . . . 140.86 -62.5 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.439 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.425 ' HD2' ' N ' ' A' ' 66' ' ' GLY . 54.3 Cg_endo -69.71 -1.74 8.94 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 62.4 p -124.96 109.38 12.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.0 p -133.45 141.02 47.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.465 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -133.54 146.68 51.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.89 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.3 t -71.55 138.88 49.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.2 56.89 0.58 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -124.4 129.73 51.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -53.35 130.42 35.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.63 147.18 4.83 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.79 168.92 5.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -101.28 160.05 14.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -106.11 134.77 48.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -112.18 121.67 45.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.9 m -64.31 149.33 48.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -39.88 -56.17 1.84 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.048 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 t -59.46 -46.14 89.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -50.45 -52.86 34.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.29 -66.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' LEU . 32.5 m -41.81 -60.5 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.427 HD13 HD21 ' A' ' 38' ' ' LEU . 5.8 mt -35.38 -64.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' LEU . 27.6 t80 -36.92 -62.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -44.82 -40.23 5.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.503 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -73.6 -42.68 61.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.697 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -52.33 -41.38 62.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 27' ' ' GLY . 8.0 tp -68.55 -60.38 2.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -51.62 -37.17 48.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -76.6 -63.43 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.504 ' CZ ' ' OD1' ' A' ' 32' ' ' ASP . 4.2 m-85 -83.95 -62.22 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.499 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 118.94 -142.81 17.04 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.47 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -75.89 48.56 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -130.26 76.09 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.714 ' CD2' HD11 ' A' ' 47' ' ' ILE . 5.9 m-85 -58.43 -20.97 49.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -68.77 -61.09 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.504 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 6.9 t0 -52.49 -37.91 58.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.697 HG12 ' HB1' ' A' ' 22' ' ' ALA . 32.9 mt -68.56 -68.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.164 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -47.3 -21.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.416 ' OE1' ' CG ' ' A' ' 36' ' ' ASP . 1.4 tm0? -68.9 -64.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.4 m-20 -100.03 -62.43 1.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.935 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.525 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 9.3 m-85 -35.68 -62.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD13 ' HG3' ' A' ' 41' ' ' LYS . 6.6 mt -135.02 93.67 16.98 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.685 0.755 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -37.04 9.67 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.625 2.216 . . . . 0.0 112.391 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.512 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 44.9 p90 -72.41 -45.11 61.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HG3' HD13 ' A' ' 38' ' ' LEU . 59.8 mmtt -52.05 151.93 3.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.6 m -85.15 178.16 7.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.504 HD13 ' C ' ' A' ' 43' ' ' LEU . 1.6 tm? -74.29 -57.17 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.533 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.6 m -71.81 -47.74 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -37.8 -53.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.2 mt -57.02 -34.86 45.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.224 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.714 HD11 ' CD2' ' A' ' 30' ' ' PHE . 93.1 mt -66.74 -50.73 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.086 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ILE . 23.8 mt-10 -34.15 -47.5 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -55.55 -44.81 77.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.934 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 47' ' ' ILE . 50.7 t80 -38.21 -50.69 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -59.2 -59.18 5.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -44.88 -51.25 9.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -66.37 -41.11 89.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -48.24 -42.26 29.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.8 p -88.34 -41.73 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.0 m -62.28 -62.63 1.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 53.95 41.72 31.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 tpt85 -52.03 -52.91 47.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -129.55 100.6 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 62' ' ' GLN . 8.9 p -146.24 130.55 11.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 62' ' ' GLN . 3.7 pt20 -38.34 -37.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.543 ' H ' HG22 ' A' ' 60' ' ' VAL . 9.9 tp60 -62.4 110.39 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.4 mmtt -100.11 88.63 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -114.84 83.14 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.3 t -111.28 124.62 52.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.16 -81.41 1.55 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.537 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 97.61 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 93.2 p -121.64 167.49 12.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.5 m -132.66 -56.73 0.94 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.49 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 m -102.99 128.88 49.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 m -155.45 113.87 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.72 92.96 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.436 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 m -152.77 111.95 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.792 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -90.69 140.03 30.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.12 -113.92 0.68 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.447 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 mtt -143.32 172.72 12.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.724 0.297 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -97.89 171.39 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -143.88 116.25 8.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CZ2' ' HD2' ' A' ' 41' ' ' LYS . 42.3 m95 -128.1 110.93 12.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' ALA . 1.2 t -80.11 151.18 29.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.888 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -35.38 -60.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.07 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.6 m -43.98 -50.8 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -63.06 -52.9 60.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -42.8 -49.02 5.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.0 t -65.16 -45.64 84.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mt -48.99 -41.68 35.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 73.0 t80 -60.3 -64.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' PHE . 12.4 mt-10 -35.8 -56.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.9 pt-20 -63.7 -33.95 76.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -55.98 -49.33 73.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tp -63.25 -36.42 83.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.09 -40.78 82.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -78.65 -63.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.587 ' CE1' ' OD2' ' A' ' 32' ' ' ASP . 12.2 m-85 -87.43 -64.55 1.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 106.26 -155.68 16.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 12.9 mmmm -38.97 -26.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' GLY . 14.3 t0 -62.57 87.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 47' ' ' ILE . 3.9 m-85 -71.82 -36.22 70.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -51.94 -57.81 8.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.587 ' OD2' ' CE1' ' A' ' 26' ' ' TYR . 7.0 t0 -49.81 -50.06 46.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.655 HG23 ' CB ' ' A' ' 37' ' ' PHE . 18.6 mt -60.39 -69.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.23 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 21.1 ttt180 -45.22 -22.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -69.02 -64.01 0.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 37' ' ' PHE . 8.9 m-20 -101.77 -60.28 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.812 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.655 ' CB ' HG23 ' A' ' 33' ' ' ILE . 11.0 m-85 -36.06 -66.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.55 HD13 ' HG3' ' A' ' 41' ' ' LYS . 9.3 mt -132.3 93.22 26.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.635 0.731 . . . . 0.0 110.888 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -29.96 22.73 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.725 2.283 . . . . 0.0 112.347 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 35.9 p90 -77.45 -44.97 27.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 38' ' ' LEU . 16.0 mmtm -54.66 152.08 7.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.616 ' O ' HD12 ' A' ' 46' ' ' ILE . 31.5 m -84.12 174.5 10.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.744 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD13 ' C ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -71.0 -60.13 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.909 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.821 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.3 m -67.14 -48.55 67.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' THR . 85.7 p -37.77 -53.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 42' ' ' SER . 18.9 mt -57.56 -37.51 58.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 44' ' ' THR . 65.8 mt -61.62 -55.19 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 47' ' ' ILE . 36.2 mt-10 -36.2 -47.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.554 ' CE1' ' HB2' ' A' ' 53' ' ' TRP . 8.5 t80 -50.3 -44.85 54.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 47' ' ' ILE . 69.3 t80 -47.4 -42.24 21.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.432 ' CE2' HG22 ' A' ' 47' ' ' ILE . 21.2 m-85 -79.72 -43.48 22.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.798 ' O ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -67.77 -14.33 62.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.893 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.554 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 50.4 t90 -90.37 -37.6 13.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -34.5 23.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 51' ' ' TYR . 36.7 p -67.77 -36.08 79.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.202 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 52' ' ' MET . 11.0 p -52.22 128.9 26.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' ARG . 4.8 p-10 -35.12 -39.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ASP . 16.4 tpt85 -35.08 142.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 47.35 40.61 11.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 61' ' ' GLN . 8.0 p -39.42 -41.5 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.066 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.431 ' N ' HG13 ' A' ' 60' ' ' VAL . 77.0 mt-30 -39.84 106.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -152.61 126.95 9.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -71.35 120.59 17.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -117.4 -55.74 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 p -50.28 116.87 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.9 -94.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 83.99 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.372 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.6 t -88.34 170.63 10.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 70' ' ' GLY . 8.0 t -98.05 173.56 6.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.518 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -86.22 -44.49 12.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.828 0.346 . . . . 0.0 110.811 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 t -114.68 158.26 22.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.42 167.81 16.34 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 m -86.85 88.29 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.889 0.376 . . . . 0.0 110.853 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t 57.66 40.71 26.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.25 102.1 1.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.51 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.4 mtm -140.85 122.05 14.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 42.03 29.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -87.79 43.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -39.01 128.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.3 p -104.1 169.68 8.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.76 -54.3 8.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 62.4 p -54.71 -47.64 73.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -61.08 2.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.79 -63.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.52 -55.52 18.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' PHE . 8.4 mt -42.52 -62.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 41.9 t80 -36.16 -67.99 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' OE2' ' NE1' ' A' ' 53' ' ' TRP . 30.1 mt-10 -40.46 -45.62 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.95 -35.69 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.931 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -59.41 -43.08 93.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 27' ' ' GLY . 8.1 tp -68.06 -56.21 9.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -53.63 -37.19 62.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -77.61 -63.63 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 3.8 m-85 -79.77 -64.97 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 119.04 -141.62 16.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 48.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.766 0.317 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -133.95 79.06 1.8 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CD2' HD11 ' A' ' 47' ' ' ILE . 4.7 m-85 -55.28 -30.56 60.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -59.13 -63.02 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 76.1 m-20 -45.23 -43.58 10.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.931 HG12 ' HB1' ' A' ' 22' ' ' ALA . 38.4 mt -67.2 -71.89 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.468 ' HB2' HD12 ' A' ' 46' ' ' ILE . 53.7 ttt-85 -45.6 -21.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 33' ' ' ILE . 44.3 tt0 -67.38 -63.56 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.5 m-20 -103.44 -61.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 7.5 m-85 -35.54 -62.58 0.4 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.618 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.3 mt -134.99 93.61 17.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.569 0.7 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.45 3.38 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.66 2.24 . . . . 0.0 112.328 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.473 ' NE1' ' HG2' ' A' ' 41' ' ' LYS . 43.8 p90 -67.24 -44.32 79.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.618 ' HG3' HD13 ' A' ' 38' ' ' LEU . 37.8 mmtt -49.95 159.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -92.39 174.5 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.36 -59.59 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.71 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.3 m -68.87 -48.28 63.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.5 m -38.25 -50.8 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.468 HD12 ' HB2' ' A' ' 34' ' ' ARG . 73.1 mt -60.48 -35.59 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 44' ' ' THR . 84.9 mt -63.39 -45.68 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.066 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -42.43 -46.54 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.496 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 4.1 t80 -54.62 -43.1 71.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -41.44 -53.26 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -62.18 -56.96 13.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.954 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 52' ' ' MET . 8.4 tmm? -46.15 -61.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.491 ' NE1' ' OE2' ' A' ' 20' ' ' GLU . 69.5 t90 -56.37 -43.21 78.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -55.7 -48.41 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.6 p -68.78 -30.6 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.6 m -44.02 137.93 3.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -114.73 81.94 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -97.69 -50.97 4.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -128.8 81.54 2.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.3 t -127.47 -55.58 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -49.82 160.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -131.6 141.61 49.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -42.24 98.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -40.36 -59.02 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 t -78.93 94.87 5.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.867 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -164.53 -158.49 10.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -42.37 3.39 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.612 2.208 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.4 m -41.36 -58.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.0 p -62.41 164.71 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.509 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 p -135.82 138.93 43.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -52.12 159.37 0.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.91 67.99 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.536 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 m -59.86 109.13 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m 57.88 42.23 23.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.28 -97.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.2 mmt -63.18 103.36 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.319 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -90.18 152.14 21.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -106.51 115.89 30.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -144.78 105.94 4.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -58.82 160.82 5.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.782 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -45.51 -62.66 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.089 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.7 m -56.83 -44.84 82.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -52.56 -49.35 65.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.56 -65.26 0.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.8 m -46.76 -55.52 7.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mt -36.75 -54.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -45.57 -63.09 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -42.99 -40.61 3.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' GLU . 4.2 mm-40 -69.63 -50.33 45.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.678 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -43.02 -53.65 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 27' ' ' GLY . 10.0 tp -58.06 -26.32 62.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' GLU . 81.7 mm-40 -81.9 -42.83 18.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -76.28 -63.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -83.88 -68.34 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.443 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 125.6 -143.24 14.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -78.46 45.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.765 0.317 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 31' ' ' ASN . 5.1 m-20 -121.19 56.46 1.03 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 47' ' ' ILE . 5.4 m-85 -34.13 -33.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 29' ' ' ASP . 34.5 m-80 -61.05 -56.85 16.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -54.8 -36.67 65.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.678 HG12 ' HB1' ' A' ' 22' ' ' ALA . 15.3 mt -71.61 -69.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 32.7 ttt180 -46.49 -21.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -65.07 -64.24 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.94 -60.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 36' ' ' ASP . 6.7 m-85 -33.34 -65.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -134.98 94.28 16.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -49.95 0.51 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.376 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.547 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 43.0 p90 -58.17 -49.31 77.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 15.8 mmtm -58.25 144.42 41.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -77.91 165.37 24.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 8.2 tt -66.79 -64.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.659 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -54.42 -51.14 65.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.5 m -41.48 -41.57 2.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 46.0 mt -68.43 -36.76 76.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 44' ' ' THR . 63.7 mt -62.84 -52.76 55.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.093 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' ILE . 38.9 mt-10 -34.76 -59.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -43.83 -44.9 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' ILE . 28.9 t80 -41.62 -57.59 2.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -54.67 -47.09 74.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -57.09 -57.89 10.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 15.5 t90 -54.68 -49.48 70.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -52.68 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 56' ' ' THR . 81.8 p -66.4 -42.95 87.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' THR . 91.8 m -37.11 143.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -66.05 84.5 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -138.11 113.76 9.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.7 t80 47.75 52.26 12.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.51 143.82 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -98.75 -49.69 4.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -70.6 87.93 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -63.41 142.55 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -105.42 134.5 48.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.7 t -81.24 170.16 16.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.36 75.5 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 162.77 40.73 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.703 2.269 . . . . 0.0 112.392 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.9 m -120.68 -59.99 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -46.69 -44.81 18.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -156.97 142.1 17.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.392 . . . . 0.0 110.817 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 t -74.87 -45.99 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.19 164.79 11.43 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 p -105.38 149.89 25.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.6 p -162.59 108.51 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.41 -44.3 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.92 153.78 19.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.66 160.11 20.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -110.19 95.45 5.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -126.52 113.98 17.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t -61.99 160.7 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.815 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.65 -57.72 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 m -47.9 -48.52 31.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.13 -41.04 97.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.22 -51.17 14.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -57.05 -50.46 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' PHE . 10.0 mt -44.63 -64.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CZ ' ' HB3' ' A' ' 49' ' ' TYR . 42.4 t80 -34.93 -65.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -42.21 -46.76 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.71 -46.64 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.779 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -46.92 -58.16 4.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.171 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.559 HD21 ' CE1' ' A' ' 50' ' ' TYR . 9.1 tp -54.82 -35.71 64.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -66.33 -45.49 80.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -78.68 -63.62 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 10.9 m-85 -81.91 -66.86 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 104.84 -151.2 17.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.528 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 3.3 mmtp -39.24 -26.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.708 0.29 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 27' ' ' GLY . 4.2 m-20 -64.27 90.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 47' ' ' ILE . 3.4 m-85 -72.79 -35.05 67.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -56.77 -61.06 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 0.9 OUTLIER -45.29 -40.65 7.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.779 HG12 ' HB1' ' A' ' 22' ' ' ALA . 18.4 mt -69.55 -73.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.431 ' NH1' ' HA ' ' A' ' 42' ' ' SER . 14.6 ttt85 -44.58 -25.7 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.8 -64.42 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.6 m-20 -103.01 -62.12 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 7.8 m-85 -33.18 -64.56 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.68 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.7 mt -135.03 94.75 15.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.574 0.702 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -36.28 11.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.43 ' CD1' ' N ' ' A' ' 41' ' ' LYS . 43.5 p90 -74.66 -44.3 51.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.68 ' HG3' HD13 ' A' ' 38' ' ' LEU . 30.9 mmtm -50.22 152.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.431 ' HA ' ' NH1' ' A' ' 34' ' ' ARG . 1.6 m -83.76 148.95 26.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.576 HD13 ' C ' ' A' ' 43' ' ' LEU . 2.7 tm? -55.41 -65.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 47' ' ' ILE . 22.5 m -59.32 -51.91 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' THR . 12.5 t -37.55 -52.85 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.3 mt -55.29 -36.92 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.642 HD11 ' CD2' ' A' ' 30' ' ' PHE . 80.5 mt -60.69 -58.16 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ILE . 63.0 mt-10 -34.53 -61.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -35.45 -47.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CE1' HD21 ' A' ' 23' ' ' LEU . 37.9 t80 -48.94 -57.71 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.639 ' O ' HG23 ' A' ' 55' ' ' THR . 20.9 m-85 -48.95 -46.67 43.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.408 ' O ' HG23 ' A' ' 56' ' ' THR . 21.2 ttp -63.75 -37.32 86.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -69.08 -62.12 1.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -37.26 59.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.851 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 51' ' ' TYR . 18.2 p -63.96 -44.31 93.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.134 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 52' ' ' MET . 27.4 p -67.7 163.29 21.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.81 41.13 1.58 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -56.06 109.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 25.0 t80 42.77 40.49 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.7 p -44.26 142.56 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -96.89 112.04 23.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -174.98 155.32 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -83.85 84.38 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -119.19 164.98 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 m -95.31 -60.39 1.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.815 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 51.19 82.76 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.536 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 114.97 3.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.611 2.207 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.9 p -160.98 121.96 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.5 t -128.96 105.76 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.915 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -82.71 136.32 34.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 p -165.56 157.2 14.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.09 66.65 0.66 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -123.45 139.24 54.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.862 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -130.73 152.14 50.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.798 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.67 -129.4 3.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.45 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 pmm? -80.29 176.24 9.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.338 . . . . 0.0 110.806 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -125.72 150.52 47.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -141.09 128.72 21.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -99.99 135.76 40.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.965 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -83.83 175.81 9.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.38 -60.28 2.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -48.83 -42.96 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.81 -50.56 66.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.24 -60.56 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.5 t -53.81 -47.6 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.607 HD13 HD21 ' A' ' 38' ' ' LEU . 5.2 mt -48.4 -38.73 20.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE2' ' CD1' ' A' ' 49' ' ' TYR . 84.4 t80 -66.63 -64.16 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' PHE . 25.6 mt-10 -37.75 -48.95 1.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.803 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.5 pt-20 -70.53 -33.22 70.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.564 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -58.97 -37.43 76.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 tp -75.18 -33.7 61.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -80.93 -24.79 37.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -83.42 -63.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 10.9 m-85 -89.63 -62.7 1.41 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.29 -147.31 16.95 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.508 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -76.88 49.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' PHE . 7.6 t0 -126.96 60.0 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.519 ' CE2' HG12 ' A' ' 47' ' ' ILE . 1.6 m-85 -34.69 -38.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -54.96 -66.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -43.81 -37.83 2.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.558 HG23 ' CB ' ' A' ' 37' ' ' PHE . 17.2 mt -73.46 -72.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 39.1 ttt-85 -41.32 -24.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' ILE . 56.8 tt0 -64.94 -64.21 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 37' ' ' PHE . 4.9 m-20 -102.55 -61.78 1.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 8.5 m-85 -34.03 -63.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 18' ' ' LEU . 8.0 mt -135.06 94.32 16.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 110.858 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -44.69 1.95 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.65 2.233 . . . . 0.0 112.452 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.488 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 41.4 p90 -62.32 -48.51 79.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 33.4 mmtt -53.73 155.1 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -91.61 161.63 14.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 9.8 tp -61.29 -64.86 0.81 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.855 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.2 m -60.06 -45.3 93.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.5 p -44.47 -45.21 9.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.0 mt -67.81 -33.03 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' A' ' 44' ' ' THR . 68.1 mt -63.39 -58.65 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ILE . 26.7 mt-10 -34.45 -49.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 11.8 t80 -48.69 -48.25 40.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' ILE . 53.4 t80 -45.73 -40.83 9.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.48 ' CE2' HG22 ' A' ' 47' ' ' ILE . 18.1 m-85 -79.35 -41.64 27.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.402 ' CG ' ' HA ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -70.34 -14.15 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.566 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 46.6 t90 -92.43 -37.21 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -77.65 -27.26 50.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 p -67.57 -43.02 81.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' ASP . 33.4 p -46.65 158.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' THR . 1.2 m-20 -36.35 -45.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -55.29 133.56 49.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.1 t80 67.75 42.6 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 61' ' ' GLN . 9.4 t -154.65 153.37 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.152 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.445 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -127.35 89.27 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -146.65 172.02 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -51.1 95.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 65' ' ' SER . 4.9 tmt_? -171.43 144.3 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.44 ' N ' ' HD3' ' A' ' 64' ' ' ARG . 15.9 p -42.06 164.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -84.25 145.5 22.26 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 126.62 13.5 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.639 2.226 . . . . 0.0 112.321 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.9 p -75.94 95.03 3.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.4 p -109.71 167.07 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -107.18 151.05 25.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -111.47 -56.71 2.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.34 -138.33 6.38 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 p -126.86 111.07 13.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.84 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -170.21 119.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.83 -67.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.5 ptp -172.59 174.3 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.735 0.302 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -95.11 165.26 12.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -142.88 120.12 11.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -123.65 126.99 47.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -83.98 148.41 26.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.03 -53.45 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.055 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.1 p -53.49 -47.47 69.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.496 ' OE1' ' CD2' ' A' ' 38' ' ' LEU . 44.3 mm-40 -58.95 -43.99 91.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.66 -55.92 4.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.0 m -50.21 -50.94 47.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mt -48.47 -41.48 29.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.484 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 41.0 t80 -58.33 -63.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -38.46 -59.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -62.19 -32.23 72.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -58.76 -25.61 63.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 23' ' ' LEU . 10.0 tp -84.9 -47.32 10.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.52 -36.28 80.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -80.78 -63.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 3.4 m-85 -84.81 -65.16 1.04 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 108.47 -161.17 13.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.465 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -37.35 -28.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 27' ' ' GLY . 8.0 t0 -57.26 93.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.822 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.618 ' CD2' HD11 ' A' ' 47' ' ' ILE . 5.9 m-85 -74.72 -36.42 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -57.07 -61.88 2.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.475 ' HB3' ' CE1' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -42.45 -48.67 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.572 HG23 ' CB ' ' A' ' 37' ' ' PHE . 19.1 mt -63.96 -72.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HD2' ' CA ' ' A' ' 43' ' ' LEU . 37.4 ttt180 -42.61 -24.49 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 33' ' ' ILE . 12.7 tt0 -64.15 -64.26 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.869 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 37' ' ' PHE . 7.8 m-20 -103.1 -61.38 1.41 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CB ' HG23 ' A' ' 33' ' ' ILE . 12.9 m-85 -33.24 -67.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 8.8 mt -132.86 94.52 20.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -41.58 4.25 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.723 2.282 . . . . 0.0 112.371 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 41.2 p90 -67.68 -46.14 73.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.561 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 30.5 mmtm -54.96 139.02 42.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -70.11 164.58 23.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CA ' ' HD2' ' A' ' 34' ' ' ARG . 9.3 tp -69.38 -64.79 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.703 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -59.7 -47.51 85.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.3 t -41.43 -42.94 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mt -71.79 -30.41 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 44' ' ' THR . 75.5 mt -64.02 -56.86 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 8.8 mm-40 -43.7 -35.19 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -64.89 -36.74 85.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -60.6 -39.59 88.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.575 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 19.1 m-85 -56.45 -54.04 50.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.0 ttp -55.07 -59.25 5.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -53.08 -46.18 68.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -48.14 -59.59 3.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.0 p -65.59 -38.99 91.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.405 HG22 ' HB2' ' A' ' 58' ' ' ARG . 39.4 m -45.33 -52.95 9.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 46.95 42.21 12.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HB2' HG22 ' A' ' 56' ' ' THR . 18.5 ttt85 -90.44 -49.15 6.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -126.7 81.71 2.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.408 HG22 ' N ' ' A' ' 61' ' ' GLN . 12.6 p -97.94 153.72 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.408 ' N ' HG22 ' A' ' 60' ' ' VAL . 9.1 mm100 -47.17 150.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -76.2 134.89 39.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -104.04 129.28 51.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' ' 64' ' ' ARG . 4.1 tpm_? -154.69 156.29 36.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 20.3 m -70.2 88.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.75 -161.03 8.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 95.77 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.632 2.221 . . . . 0.0 112.279 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.7 t -81.08 175.53 10.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 70' ' ' GLY . 96.0 p 41.69 40.98 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.541 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 t 67.76 42.27 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.341 . . . . 0.0 110.813 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -48.81 124.94 9.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.41 132.35 1.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -71.57 144.18 49.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -97.09 136.79 37.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.55 -80.66 0.17 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.4 mmt -70.65 130.06 40.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -91.94 172.8 8.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' O ' ' CD1' ' A' ' 11' ' ' TRP . 46.5 tt0 -112.13 127.65 55.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CH2' ' HD2' ' A' ' 41' ' ' LYS . 62.5 m95 -151.24 130.41 12.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -106.78 171.82 7.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.24 -54.15 40.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.1 m -48.2 -63.92 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -54.15 -42.7 69.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.67 -52.33 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.5 m -60.44 -54.15 48.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 mt -39.42 -53.52 2.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' ' CD1' ' A' ' 49' ' ' TYR . 69.5 t80 -46.32 -59.1 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.812 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -47.12 -43.61 20.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.26 -47.65 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -47.16 -60.3 2.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 tp -41.17 -39.72 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.39 -43.99 65.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -74.08 -63.78 1.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.954 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -89.72 -68.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 119.92 -167.62 13.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.512 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 9.7 tmtt? -35.99 -31.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLY . 3.0 m-20 -61.79 89.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.881 ' HA ' HD12 ' A' ' 33' ' ' ILE . 5.5 m-85 -74.16 -33.04 63.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -44.64 -53.26 7.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -65.1 -31.27 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.881 HD12 ' HA ' ' A' ' 30' ' ' PHE . 44.6 mt -71.24 -66.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HD3' ' C ' ' A' ' 42' ' ' SER . 27.2 ttp180 -48.15 -20.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.5 -64.26 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.3 m-20 -102.4 -62.4 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.46 ' CB ' HG23 ' A' ' 33' ' ' ILE . 7.8 m-85 -34.89 -62.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.96 94.08 16.67 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.642 0.734 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 34' ' ' ARG . 53.8 Cg_endo -69.76 -46.94 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.391 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.8 p90 -58.21 -46.77 85.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 23.1 mmtm -52.26 154.52 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.571 ' O ' HD12 ' A' ' 46' ' ' ILE . 1.8 m -92.26 -179.34 5.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.555 HD13 ' C ' ' A' ' 43' ' ' LEU . 2.3 tm? -72.63 -57.31 4.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.551 HG23 HD12 ' A' ' 47' ' ' ILE . 1.1 m -76.27 -39.83 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.2 t -43.84 -36.76 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.571 HD12 ' O ' ' A' ' 42' ' ' SER . 18.1 mt -80.53 -26.26 11.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.608 HG22 ' CE2' ' A' ' 51' ' ' TYR . 65.8 mt -62.83 -52.37 60.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.068 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -45.24 -48.81 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' CD1' ' CD2' ' A' ' 19' ' ' PHE . 21.5 t80 -51.25 -47.53 62.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -47.59 -37.52 12.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.608 ' CE2' HG22 ' A' ' 47' ' ' ILE . 13.5 m-85 -81.53 -44.48 17.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -20.8 65.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.501 ' O ' ' N ' ' A' ' 56' ' ' THR . 65.6 t90 -92.5 -59.73 2.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 53' ' ' TRP . 0.6 OUTLIER -35.89 -46.17 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.975 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 p -71.81 -37.64 70.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 53' ' ' TRP . 93.1 m -37.46 149.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -99.54 42.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.796 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -104.31 129.05 52.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.539 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 48.1 t80 63.05 43.45 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' GLN . 10.1 p -152.38 150.28 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' VAL . 71.4 mt-30 -37.68 142.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -162.91 158.5 22.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.14 41.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.4 tpp85 -145.94 143.91 29.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.755 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 52.9 p -75.65 120.34 20.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.31 84.26 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 164.18 35.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.236 . . . . 0.0 112.389 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -158.65 167.87 28.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t 69.14 42.27 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -94.79 138.65 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m 39.64 42.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.98 78.87 0.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 m -159.5 163.12 35.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 110.801 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 p -95.45 -47.29 6.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.88 -41.7 2.09 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.554 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.53 164.45 17.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.768 0.318 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -87.45 152.16 22.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -103.72 108.85 20.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -120.2 132.47 55.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.0 m -91.72 173.16 8.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.48 57.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.087 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -45.52 -55.86 5.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -63.54 -51.41 65.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.72 -55.59 4.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.7 m -61.02 -47.43 86.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mt -48.87 -42.16 35.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.519 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 70.4 t80 -59.26 -67.33 0.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 19' ' ' PHE . 44.7 mt-10 -35.5 -60.49 0.5 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.71 -34.67 71.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -56.47 -49.89 73.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 27' ' ' GLY . 10.1 tp -65.27 -19.52 66.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -85.32 -38.87 18.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -81.59 -63.64 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.965 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 11.7 m-85 -80.85 -64.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.421 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 116.77 -144.44 18.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.486 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -76.06 48.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.54 66.63 1.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.734 ' CD2' HD11 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -43.98 -39.7 4.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -47.1 -58.67 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.5 -57.92 8.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.646 HG23 ' CB ' ' A' ' 37' ' ' PHE . 25.4 mt -49.5 -69.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' HB2' HD12 ' A' ' 46' ' ' ILE . 26.7 ttp85 -46.55 -21.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -69.55 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.66 -56.49 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.646 ' CB ' HG23 ' A' ' 33' ' ' ILE . 7.4 m-85 -39.96 -61.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.4 mt -135.01 91.24 19.94 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.67 0.748 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -30.29 22.19 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.281 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.563 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 38.9 p90 -79.3 -43.61 23.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HG3' HD13 ' A' ' 38' ' ' LEU . 51.3 mmtt -55.12 148.9 13.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -84.69 165.57 17.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.44 HD13 ' C ' ' A' ' 43' ' ' LEU . 1.2 tm? -58.81 -64.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.553 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.6 m -64.64 -46.9 80.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -37.82 -49.06 1.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 34' ' ' ARG . 60.3 mt -63.1 -38.82 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.734 HD11 ' CD2' ' A' ' 30' ' ' PHE . 82.1 mt -61.39 -55.49 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 47' ' ' ILE . 21.6 mt-10 -34.52 -49.3 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' TYR . 17.4 t80 -54.14 -48.51 70.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 49' ' ' TYR . 33.0 t80 -34.22 -47.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.499 ' O ' ' N ' ' A' ' 55' ' ' THR . 9.0 m-85 -76.43 -55.95 5.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.557 ' O ' ' HE3' ' A' ' 52' ' ' MET . 0.0 OUTLIER -54.05 -14.55 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.552 ' O ' HG22 ' A' ' 56' ' ' THR . 61.2 t90 -94.51 -47.4 6.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -92.36 -51.88 4.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' TYR . 1.3 m -63.65 -10.78 20.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.16 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.552 HG22 ' O ' ' A' ' 53' ' ' TRP . 1.4 t -42.03 148.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.98 38.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.796 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -83.72 -49.36 9.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 62' ' ' GLN . 3.1 t80 -107.5 82.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.95 -28.14 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -129.27 39.16 3.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.429 ' HA ' ' CE1' ' A' ' 59' ' ' TYR . 31.7 tt0 69.84 40.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -64.42 -45.69 86.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 43.01 44.18 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.0 t -40.95 -59.21 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.86 171.16 12.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.721 2.28 . . . . 0.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 t -58.59 -45.51 88.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.3 t -56.13 114.27 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.498 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p -89.97 -61.54 1.66 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -49.01 106.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.55 59.03 0.36 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -102.63 116.4 32.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.912 0.387 . . . . 0.0 110.819 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -156.5 133.72 10.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.59 -82.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.9 ptp -64.66 175.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -93.59 158.72 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -142.44 108.33 5.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -98.51 121.73 40.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.1 p -79.4 152.45 30.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.93 -52.59 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.3 p -58.21 -50.83 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -54.31 -55.29 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.86 -43.12 28.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.7 t -67.23 -46.7 73.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 12.0 mt -48.72 -42.88 36.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 33.8 t80 -53.38 -61.09 2.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -41.07 -60.21 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 11.9 pt-20 -59.97 -39.1 84.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -51.79 -40.43 60.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tp -73.6 -37.12 65.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.81 -36.12 79.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -84.59 -63.61 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 32' ' ' ASP . 4.8 m-85 -81.51 -68.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 118.46 -163.43 13.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.508 ' O ' ' CE1' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -40.15 -25.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.561 ' O ' HD12 ' A' ' 33' ' ' ILE . 7.6 m-20 -61.86 108.7 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CE2' HG12 ' A' ' 47' ' ' ILE . 4.6 m-85 -86.46 -32.65 20.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -54.49 -68.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 2.5 p30 -40.66 -49.24 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.606 HG23 ' CB ' ' A' ' 37' ' ' PHE . 39.8 mt -61.82 -70.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' HD2' ' N ' ' A' ' 43' ' ' LEU . 23.4 ttt-85 -43.18 -24.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 33' ' ' ILE . 4.3 tp60 -64.59 -64.4 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 37' ' ' PHE . 8.1 m-20 -100.73 -62.37 1.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CB ' HG23 ' A' ' 33' ' ' ILE . 12.2 m-85 -32.65 -66.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD23 ' CZ2' ' A' ' 40' ' ' TRP . 8.1 mt -135.02 94.77 15.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.583 0.706 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -50.78 0.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 42.6 p90 -56.59 -48.91 76.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 36.3 mmtt -55.44 145.18 23.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.5 m -77.33 169.77 17.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.478 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 11.0 tp -70.26 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.789 ' HA ' HD12 ' A' ' 47' ' ' ILE . 0.8 OUTLIER -62.25 -47.26 85.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 m -39.83 -44.06 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.64 -38.43 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 44' ' ' THR . 79.8 mt -57.24 -50.03 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.7 mt-10 -34.83 -51.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -55.47 -48.81 73.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' N ' ' O ' ' A' ' 47' ' ' ILE . 18.3 t80 -44.15 -44.14 7.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.421 ' O ' HG23 ' A' ' 55' ' ' THR . 25.7 m-85 -60.21 -59.78 4.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -53.4 -58.17 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 41.1 t90 -51.37 -24.64 4.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -89.27 -31.44 17.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 51' ' ' TYR . 71.2 p -86.56 8.29 22.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -52.6 147.86 7.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.45 44.33 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.571 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 1.1 tpm_? -107.25 158.98 16.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 58' ' ' ARG . 14.9 p90 34.6 43.95 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 p -107.66 147.73 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -50.79 -44.75 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -88.79 42.65 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -42.7 -52.63 4.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -117.39 88.28 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -89.36 177.69 6.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -53.6 -179.96 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.544 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 105.18 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.4 t -99.22 108.96 21.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -47.96 97.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 p -131.77 144.28 50.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.912 0.387 . . . . 0.0 110.88 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -173.85 160.06 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 115.74 97.86 2.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 4' ' ' GLY . 29.1 t -36.58 121.08 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -60.24 133.02 55.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.47 -100.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.449 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.0 mmm -80.86 163.84 23.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.714 0.293 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.87 137.14 51.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -107.87 125.19 51.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 11.9 m95 -96.35 133.98 40.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.6 t -84.89 145.24 27.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 16' ' ' ALA . . . -45.74 -55.5 6.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.4 t -48.92 -61.71 1.91 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' OE1' HD12 ' A' ' 18' ' ' LEU . 27.3 mm-40 -48.29 -46.59 36.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -41.08 -47.09 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.31 -51.27 70.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD12 ' OE1' ' A' ' 15' ' ' GLU . 10.5 mt -47.19 -36.44 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -60.28 -58.13 9.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -46.5 -56.12 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.49 -40.16 96.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HA ' ' CE2' ' A' ' 37' ' ' PHE . . . -50.43 -45.08 55.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.9 tp -67.84 -40.08 83.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.3 -38.44 90.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -83.86 -63.08 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 32' ' ' ASP . 4.1 m-85 -82.95 -64.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' ASP . . . 103.02 -159.89 17.1 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 30' ' ' PHE . 10.4 mtpt -36.18 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 27' ' ' GLY . 28.6 m-20 -59.0 87.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.752 ' CD2' HD11 ' A' ' 47' ' ' ILE . 3.3 m-85 -72.19 -36.63 69.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -48.94 -64.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 26' ' ' TYR . 61.0 m-20 -45.36 -50.88 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 30' ' ' PHE . 20.2 mt -55.97 -72.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.558 ' HB2' HD12 ' A' ' 46' ' ' ILE . 40.6 ttt180 -44.88 -25.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -63.9 -64.29 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.0 OUTLIER -102.92 -61.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CE2' ' HA ' ' A' ' 22' ' ' ALA . 13.8 m-85 -34.14 -63.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mt -135.07 94.38 16.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.572 0.701 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -45.94 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.607 2.205 . . . . 0.0 112.29 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.554 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 40.4 p90 -60.76 -42.07 96.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.554 ' HG2' ' CD1' ' A' ' 40' ' ' TRP . 39.4 mmtm -59.55 157.91 10.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -88.72 179.26 6.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 43' ' ' LEU . 2.4 tm? -77.81 -56.18 4.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.541 ' HA ' HD12 ' A' ' 47' ' ' ILE . 12.9 m -71.09 -45.78 63.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 m -39.78 -47.87 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 34' ' ' ARG . 65.7 mt -63.12 -35.16 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.752 HD11 ' CD2' ' A' ' 30' ' ' PHE . 85.9 mt -63.68 -56.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 47' ' ' ILE . 28.5 mt-10 -35.02 -44.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -57.36 -51.14 70.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.968 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' ILE . 38.8 t80 -44.09 -59.15 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -44.97 -62.82 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.945 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.4 ttp -50.12 -55.83 13.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 42.9 t90 -49.29 -28.77 5.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -83.44 -48.8 9.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.5 p -81.14 15.28 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -175.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.31 36.95 11.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -55.04 131.94 46.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.467 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 31.2 t80 46.33 41.75 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.3 p -39.89 138.51 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -94.45 161.64 14.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.22 41.93 3.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -90.4 163.25 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -112.09 41.03 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' GLY . 6.9 t -105.8 159.36 16.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -36.84 155.87 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.515 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.68 4.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.727 2.285 . . . . 0.0 112.278 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.9 m -53.12 128.64 28.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.797 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.4 m -127.06 -60.31 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m 39.0 42.25 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.903 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -167.71 149.99 5.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.16 -136.51 4.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -128.16 -50.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.822 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -48.1 151.87 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.48 138.0 9.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 38.0 mtt -97.75 175.47 6.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.702 0.287 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 143.73 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -129.62 105.24 7.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -109.19 167.11 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 13' ' ' ALA . 10.3 m -123.1 155.93 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.788 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' SER . . . -38.08 -61.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.3 t -43.57 -51.89 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.55 -55.2 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.49 -61.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.1 t -49.93 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' PHE . 6.4 mt -38.17 -61.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 40.8 t80 -37.07 -64.64 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -42.32 -46.4 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -65.4 -50.16 66.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -43.29 -57.78 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tp -52.99 -24.8 10.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -87.8 -35.86 17.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -78.57 -63.66 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -81.54 -63.93 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.01 -145.1 15.55 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 mmmm -75.98 48.48 0.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.765 0.317 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -134.39 90.04 2.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.843 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.1 m-85 -64.01 -40.82 97.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -45.09 -69.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -43.56 -54.22 5.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 ' CB ' ' A' ' 37' ' ' PHE . 65.8 mt -51.93 -65.9 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' NE ' ' HA ' ' A' ' 42' ' ' SER . 49.3 ttt180 -48.13 -20.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.69 -63.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -103.49 -60.6 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CB ' HG23 ' A' ' 33' ' ' ILE . 7.6 m-85 -36.27 -62.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.576 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.7 mt -134.98 93.32 17.45 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -37.44 9.16 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.65 2.233 . . . . 0.0 112.309 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 38.9 p90 -70.84 -40.62 72.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.576 ' HG3' HD13 ' A' ' 38' ' ' LEU . 4.2 mmpt? -56.62 161.41 2.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.441 ' HA ' ' NE ' ' A' ' 34' ' ' ARG . 8.7 m -102.1 163.79 12.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.442 HD13 ' C ' ' A' ' 43' ' ' LEU . 1.1 tm? -56.12 -57.55 11.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.548 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.9 m -72.7 -47.85 43.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.4 m -37.64 -48.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.5 mt -64.25 -38.97 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.843 HD11 ' CD2' ' A' ' 30' ' ' PHE . 91.6 mt -61.11 -52.47 61.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.125 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' ILE . 7.7 mt-10 -35.09 -53.84 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -46.36 -47.73 18.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -47.6 -54.03 12.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.958 ' O ' HG23 ' A' ' 55' ' ' THR . 19.2 m-85 -43.45 -43.86 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.46 ' O ' HG23 ' A' ' 56' ' ' THR . 17.9 tmm? -75.94 -31.41 59.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 7.9 t90 -67.19 -41.4 85.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -75.03 -31.69 61.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.958 HG23 ' O ' ' A' ' 51' ' ' TYR . 76.0 p -67.22 -44.61 79.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 52' ' ' MET . 20.8 p -47.41 139.17 6.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -80.09 46.3 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -91.91 88.13 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.5 t80 66.21 42.92 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 61' ' ' GLN . 8.0 p -39.57 -39.82 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.405 ' N ' HG13 ' A' ' 60' ' ' VAL . 37.8 mt-30 -50.68 101.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -38.31 151.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -90.96 144.01 26.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.08 89.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -112.04 160.06 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -135.38 83.36 0.28 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.47 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 129.31 17.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.3 p -74.97 158.93 32.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.4 p -45.92 112.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.479 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -72.36 174.3 7.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.807 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -93.96 -58.08 2.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.33 177.37 26.63 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 m -100.82 42.16 1.13 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.893 0.378 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -113.97 135.97 53.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.08 -108.46 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.443 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -59.02 110.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.729 0.3 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -93.13 141.34 28.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -126.94 109.45 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -78.38 114.24 17.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.4 m -68.55 144.8 54.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -40.02 -53.62 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.03 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.6 m -50.31 -55.13 16.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -57.17 -53.23 60.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.24 32.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.5 m -59.07 -43.16 91.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.408 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 2.9 mt -57.35 -44.73 84.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.536 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 66.7 t80 -54.26 -66.58 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' PHE . 43.8 mt-10 -35.03 -61.76 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 8.3 pt-20 -58.68 -34.73 71.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.542 ' HB2' ' CD2' ' A' ' 37' ' ' PHE . . . -55.55 -36.37 66.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.502 HD21 ' CE1' ' A' ' 50' ' ' TYR . 9.5 tp -77.66 -30.24 51.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -77.41 -34.12 54.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -87.31 -63.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.446 ' CE2' ' CE1' ' A' ' 37' ' ' PHE . 3.2 m-85 -78.28 -65.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.11 -148.79 18.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -75.51 49.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ASN . 0.9 OUTLIER -124.77 56.34 1.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.4 m-85 -34.49 -32.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ASP . 1.9 p30 -59.87 -62.78 1.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -50.19 -33.43 19.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.467 HG23 ' CB ' ' A' ' 37' ' ' PHE . 35.7 mt -74.52 -72.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 25.8 ttt180 -44.79 -23.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -67.0 -64.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.2 m-20 -102.56 -60.36 1.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.542 ' CD2' ' HB2' ' A' ' 22' ' ' ALA . 5.8 m-85 -36.53 -62.5 0.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.988 0.423 . . . . 0.0 110.982 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.677 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.0 mt -134.69 93.17 18.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.645 0.736 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -27.68 26.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.703 2.269 . . . . 0.0 112.328 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.494 ' CD1' ' HG2' ' A' ' 41' ' ' LYS . 39.9 p90 -82.21 -42.55 18.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.677 ' HG3' HD13 ' A' ' 38' ' ' LEU . 23.5 mmtt -54.57 154.17 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.9 m -92.33 149.06 21.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.4 -62.41 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.965 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.2 m -62.11 -54.07 46.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' THR . 31.2 t -37.63 -54.05 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 21.1 mt -55.73 -35.53 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.965 HD12 ' HA ' ' A' ' 44' ' ' THR . 50.2 mt -64.88 -53.15 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.4 mt-10 -35.19 -49.95 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -53.34 -45.63 69.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.989 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.502 ' CE1' HD21 ' A' ' 23' ' ' LEU . 63.2 t80 -43.24 -57.83 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.931 ' O ' HG23 ' A' ' 55' ' ' THR . 39.3 m-85 -46.47 -51.82 14.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.5 ttp -63.15 -25.15 68.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 6.0 t90 -79.59 -38.98 32.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.928 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.21 -22.82 38.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.931 HG23 ' O ' ' A' ' 51' ' ' TYR . 67.5 p -81.02 6.52 13.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 41.8 p -75.92 146.79 39.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.175 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -37.65 -53.41 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -48.92 154.82 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.0 t80 72.43 55.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.946 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.2 p -142.71 145.33 23.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -94.82 150.82 19.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -70.03 179.32 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 67.14 44.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -108.62 -53.14 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -122.21 97.23 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.922 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.43 176.04 45.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.62 119.71 6.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 0.0 112.387 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 64.9 m -87.5 -58.03 2.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.824 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 80.2 p -115.2 168.17 10.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -89.04 119.64 29.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.786 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m 50.67 42.16 26.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.793 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.78 -90.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -169.66 157.34 6.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.951 0.405 . . . . 0.0 110.83 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -64.58 98.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.43 -62.71 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -115.51 167.0 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.724 0.297 . . . . 0.0 110.947 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.75 165.79 11.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -167.2 120.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -107.72 170.72 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.5 m -128.45 172.5 11.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.82 -53.53 55.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 m -57.22 -55.14 38.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -54.05 -48.97 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.59 -61.82 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -47.13 -45.95 22.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 HD21 ' A' ' 38' ' ' LEU . 9.5 mt -51.58 -44.84 62.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.692 ' CD2' ' CE1' ' A' ' 49' ' ' TYR . 70.8 t80 -64.23 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' PHE . 2.5 mm-40 -37.18 -50.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 22' ' ' ALA . 6.5 pt-20 -69.25 -33.6 73.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.65 ' HB1' HG12 ' A' ' 33' ' ' ILE . . . -57.88 -48.31 80.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 27' ' ' GLY . 10.8 tp -63.15 -23.59 67.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -86.25 -38.48 17.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -78.4 -63.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.542 ' CZ ' ' OD1' ' A' ' 32' ' ' ASP . 7.1 m-85 -81.44 -64.78 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' HD12 ' A' ' 23' ' ' LEU . . . 122.49 -146.87 16.86 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -77.1 47.28 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -126.11 74.6 1.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.694 ' CD2' HD11 ' A' ' 47' ' ' ILE . 1.0 OUTLIER -48.32 -39.78 23.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -53.63 -56.53 16.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.542 ' OD1' ' CZ ' ' A' ' 26' ' ' TYR . 7.5 t0 -50.7 -52.77 37.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.65 HG12 ' HB1' ' A' ' 22' ' ' ALA . 15.1 mt -58.88 -68.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HB2' ' CD1' ' A' ' 46' ' ' ILE . 36.9 ttt-85 -45.13 -22.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 33' ' ' ILE . 18.7 tt0 -65.71 -64.27 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' PHE . 1.6 m-20 -105.89 -57.79 2.0 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.647 ' CB ' HG23 ' A' ' 33' ' ' ILE . 5.4 m-85 -35.72 -65.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.605 HD13 ' HG3' ' A' ' 41' ' ' LYS . 7.6 mt -135.07 92.93 17.69 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -25.6 28.91 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.738 2.292 . . . . 0.0 112.384 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.592 ' CZ2' HD23 ' A' ' 38' ' ' LEU . 35.6 p90 -82.26 -40.72 21.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HG3' HD13 ' A' ' 38' ' ' LEU . 26.6 mmtp -60.84 128.32 35.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.965 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' HD12 ' A' ' 46' ' ' ILE . 3.4 p -58.8 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 43' ' ' LEU . 1.6 tm? -82.39 -54.37 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.66 ' HA ' HD12 ' A' ' 47' ' ' ILE . 1.9 m -68.19 -48.26 65.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 44' ' ' THR . 9.4 t -37.58 -57.43 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.5 HD12 ' O ' ' A' ' 42' ' ' SER . 22.5 mt -51.5 -38.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.694 HD11 ' CD2' ' A' ' 30' ' ' PHE . 72.7 mt -63.91 -57.08 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 47' ' ' ILE . 17.6 mt-10 -36.47 -52.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.692 ' CE1' ' CD2' ' A' ' 19' ' ' PHE . 4.2 t80 -45.82 -44.3 14.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 47' ' ' ILE . 91.6 t80 -47.71 -44.05 27.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.932 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.561 ' O ' HG23 ' A' ' 55' ' ' THR . 17.9 m-85 -78.41 -44.37 25.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.475 ' CG ' ' HA ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -66.54 -16.96 64.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.558 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . 53.0 t90 -86.72 -44.63 11.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 55' ' ' THR . 16.3 pttp -72.92 -36.03 67.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 51' ' ' TYR . 62.0 p -66.67 -40.2 88.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -79.55 150.64 31.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 58' ' ' ARG . 1.1 m-20 -87.68 44.59 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER -34.57 145.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.514 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 74.9 t80 59.8 54.01 4.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' GLN . 5.6 p -144.04 144.81 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 60' ' ' VAL . 44.4 mt-30 -34.48 119.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -174.97 158.82 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.08 139.76 27.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 61.62 49.41 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.818 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.9 m -119.13 85.19 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.68 175.75 44.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 145.98 58.62 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.641 2.228 . . . . 0.0 112.365 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.0 t -129.93 135.42 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.6 t -129.34 157.21 42.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 -179.946 . . . . . . . . 0 0 . 1 stop_ save_