data_2cop_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 2cop _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -48.43 -55.92 9.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.457 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 5.5 pt-20 -35.05 -45.46 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 4.6 mm? -66.41 -51.19 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.56 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 53.5 t80 -47.15 -31.08 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.56 -49.67 38.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -62.59 -58.9 5.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.59 -50.53 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.68 -47.32 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -31.1 72.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.97 -32.83 65.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -44.74 -53.8 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -55.32 -26.89 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.09 -13.66 58.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.401 HD21 ' CB ' ' A' ' 88' ' ' ASP . 56.9 mt -110.02 19.18 19.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -66.9 -38.91 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.19 -26.39 65.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.89 -11.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.49 128.41 43.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.8 m -79.32 158.27 27.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.1 mmt-85 -39.68 -53.16 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -59.9 -41.71 92.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.01 -38.65 76.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 31' ' ' LEU . 4.4 mm? -60.06 -42.43 94.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' TYR . 1.8 tp -71.87 -51.0 24.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 48.1 t80 -38.63 -40.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 22.6 mt -78.83 -34.37 45.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LEU . 9.7 t80 -61.41 -60.34 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.2 -63.83 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.498 ' NH1' ' CZ ' ' A' ' 33' ' ' TYR . 21.8 mtt85 -55.88 -43.54 77.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 4.2 t80 -58.88 -26.72 64.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -85.59 -27.23 25.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.955 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -78.22 -23.56 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' CG1' ' HB1' ' A' ' 76' ' ' ALA . 3.2 m -88.53 -30.97 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -86.44 -50.09 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 t -96.23 -65.19 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.67 -122.41 5.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 46' ' ' CYS . 7.9 m120 -61.64 128.23 35.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ASN . 2.4 t -36.82 -50.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.1 p30 35.19 35.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' CYS . 8.0 p -135.07 147.78 64.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.81 49.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 49.9 tttt -62.12 139.2 96.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.5 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.73 167.83 23.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -66.23 152.5 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.25 -49.38 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.432 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.9 m-85 -58.37 -41.51 84.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -68.82 78.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -65.32 -61.27 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' PHE . 20.7 mt-10 -35.26 -54.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.32 -28.93 67.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' PHE . 27.0 ttpp -56.82 -60.98 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.727 0.299 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -46.36 -49.31 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 22.6 mtpt -50.11 -63.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.5 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.1 t90 -50.66 -42.02 56.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -58.53 -65.61 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.44 -45.91 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.518 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 15.2 t90 -75.52 -23.17 56.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.492 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 23.6 tptt -74.64 -41.57 60.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.86 -26.52 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' GLY . 19.0 mt -83.82 54.98 3.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . -36.94 -79.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -124.16 50.93 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -79.84 149.09 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -73.96 157.2 87.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.669 0.747 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -57.61 -44.8 85.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.83 -24.99 64.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.451 ' HB1' ' CG1' ' A' ' 41' ' ' VAL . . . -86.27 -26.1 25.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.56 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 12.5 mtt -79.85 -31.4 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -58.88 -51.97 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -72.98 -32.26 65.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.8 t80 -64.89 -25.34 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.46 HD13 ' N ' ' A' ' 12' ' ' PHE . 5.1 mt -90.56 -65.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.66 -58.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 p -40.41 -59.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.0 OUTLIER -49.43 -29.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.465 ' N ' HG23 ' A' ' 84' ' ' VAL . 29.7 mtpt -69.91 -34.65 73.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -34.42 71.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.48 -38.83 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.401 ' CB ' HD21 ' A' ' 22' ' ' LEU . 22.9 t70 -133.58 94.24 19.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.615 0.722 . . . . 0.0 110.821 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -13.01 33.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.637 2.225 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.07 36.62 3.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 23.4 t90 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -71.88 -57.73 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' ALA . 51.7 mm-40 -35.32 -47.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.08 -50.87 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 63.2 t80 -44.08 -24.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -83.76 -49.7 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -63.76 -50.01 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.41 -46.12 47.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.79 54.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.76 -25.48 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -80.17 -27.83 38.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 tt -49.57 -46.64 49.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -60.63 -22.79 64.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.11 -11.13 60.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' A' ' 88' ' ' ASP . 27.4 mt -112.02 17.64 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.4 mm -67.24 -36.19 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.1 -23.77 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -101.73 -14.3 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.7 138.59 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.1 p -89.63 149.59 22.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 5.7 ptp180 -39.53 -32.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 50.8 mt-10 -73.82 -51.04 17.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -53.23 -44.77 68.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.4 -39.45 47.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 61' ' ' LYS . 1.7 tp -75.57 -48.11 23.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 62.6 t80 -42.82 -35.7 1.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 20.0 mt -83.15 -31.48 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 5.4 t80 -62.41 -56.65 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.37 -62.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.562 ' NH1' ' CZ ' ' A' ' 33' ' ' TYR . 40.4 mtt85 -53.5 -47.46 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 2.8 t80 -60.99 -30.99 70.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 20.9 mmmt -78.51 -24.09 45.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -78.96 -44.99 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.566 HG22 ' CZ ' ' A' ' 12' ' ' PHE . 1.9 m -66.86 -24.61 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -90.28 -52.93 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.66 -63.9 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.32 -142.78 17.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -46.18 106.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.3 t -38.12 129.03 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -127.96 -32.89 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.0 p -51.4 151.43 5.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.52 48.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.695 2.264 . . . . 0.0 112.372 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -58.54 129.0 84.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.567 0.698 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 131.55 21.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.289 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.23 152.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -54.21 -45.25 72.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.486 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 4.7 m-85 -49.96 -47.37 52.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -73.82 77.66 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -66.54 -58.51 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -38.57 -56.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.6 -20.69 77.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' PHE . 26.8 ttpp -64.68 -55.16 21.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -52.84 -44.0 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 26.7 mtpt -61.99 -46.86 87.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.512 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 82.3 t90 -62.77 -43.9 97.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -59.0 -65.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.11 -53.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -67.26 -37.22 83.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 18.1 tptm -57.17 -51.1 70.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.09 -36.13 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.7 mt -76.73 50.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.59 -74.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -113.1 49.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.6 m -90.28 136.69 32.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -63.54 150.72 89.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -50.38 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 t -55.22 -46.0 75.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -57.97 -27.46 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.74 -25.86 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.553 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 8.2 mtt -78.71 -32.73 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -59.46 -54.22 49.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.64 -43.75 83.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.6 t80 -53.26 -36.63 61.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.2 mt -82.21 -65.69 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.63 -56.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.418 HG12 ' CD2' ' A' ' 34' ' ' LEU . 2.2 p -45.27 -56.21 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.3 m -50.65 -23.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.464 ' N ' HG22 ' A' ' 84' ' ' VAL . 39.4 mtpt -78.6 -38.6 39.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -29.88 70.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -79.79 -40.72 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' CB ' HD21 ' A' ' 22' ' ' LEU . 21.2 t0 -134.57 94.28 17.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.703 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -7.21 20.48 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.69 45.31 2.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 23.0 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.407 HD11 ' CB ' ' A' ' 77' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.346 . . . . 0.0 110.943 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -46.58 -63.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ALA . 28.2 mm-40 -35.23 -52.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.04 -46.07 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 80.7 t80 -48.74 -37.5 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.11 -57.24 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -54.62 -57.35 11.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.63 -54.07 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.36 -46.98 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.68 -28.64 69.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -77.62 -29.82 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 34' ' ' LEU . 2.3 tt -45.7 -47.87 15.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -56.87 -30.03 63.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.33 -13.64 67.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 27.2 mt -107.04 17.71 22.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.14 -30.41 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -81.14 -18.8 45.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 29.7 m -104.46 -15.18 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.95 123.27 34.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -72.6 155.36 40.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -41.89 -31.47 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 35.8 mt-10 -75.9 -46.06 32.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -54.18 -45.89 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.1 -44.13 51.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 61' ' ' LYS . 1.9 tp -73.05 -44.47 60.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.642 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 32.1 t80 -47.41 -52.56 16.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 38' ' ' TYR . 38.3 mt -62.49 -24.13 67.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.526 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.9 t80 -79.67 -45.84 18.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.8 -63.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.642 ' NH2' ' CD2' ' A' ' 33' ' ' TYR . 23.3 mtm-85 -64.56 -47.24 79.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -47.98 -40.67 23.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 13.6 mmmt -76.01 -28.44 57.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.443 ' CD ' ' O ' ' A' ' 68' ' ' LEU . 50.0 tp60 -73.4 -34.4 65.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.546 HG21 ' CZ ' ' A' ' 12' ' ' PHE . 10.1 m -78.04 -24.74 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -87.55 -49.94 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 t -95.18 -65.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.31 -141.53 13.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -48.15 123.27 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.7 t -58.17 115.55 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -114.82 -34.82 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.8 p -44.41 148.3 0.89 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 143.39 50.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 76.9 tttt -56.86 136.42 79.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.515 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.74 173.09 11.46 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 t -79.43 141.63 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.34 -48.33 55.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.53 -35.34 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -75.39 78.31 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -63.91 -56.52 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' PHE . 39.9 mt-10 -35.14 -57.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.58 -42.94 53.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 19.4 ttpt -40.84 -56.62 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 3.4 pt20 -55.26 -43.85 75.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.5 mtpt -58.54 -60.18 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.515 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.8 t90 -55.77 -38.61 70.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ALA . 11.4 mt-10 -62.72 -71.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.87 -56.38 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -63.14 -44.65 94.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 62' ' ' TRP . 8.7 tptp -49.46 -47.07 48.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.29 -26.38 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 40' ' ' GLN . 18.6 mt -89.77 50.84 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.56 -47.38 27.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -108.16 35.29 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.0 m -99.88 144.41 28.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 m -83.03 161.42 57.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.702 0.763 . . . . 0.0 110.788 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 p -60.98 -44.22 97.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.78 -15.73 43.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB1' ' CG1' ' A' ' 41' ' ' VAL . . . -93.23 -27.88 16.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.544 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.4 mtt -76.28 -32.22 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -57.91 -46.34 85.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -76.29 -38.0 56.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 9.2 t80 -59.91 -24.86 64.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.464 HD11 ' N ' ' A' ' 12' ' ' PHE . 5.2 mt -91.63 -65.39 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -33.01 -55.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 p -44.6 -58.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.8 m -49.39 -22.05 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.452 ' N ' HG22 ' A' ' 84' ' ' VAL . 20.6 mtpp -79.65 -36.86 37.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.98 -28.23 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.422 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 3.1 mt -83.17 -37.07 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -134.62 93.48 18.3 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.592 0.71 . . . . 0.0 110.873 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -8.58 23.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.0 -10.34 69.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 30.5 t90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.857 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.68 -52.13 24.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -42.74 -44.05 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.76 -51.69 31.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.553 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 86.9 t80 -42.97 -35.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.51 -54.24 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -59.11 -57.13 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.85 -47.75 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.98 -44.77 51.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.12 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' GLY . 3.5 t60 -75.67 -35.27 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.06 -46.27 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -60.73 -32.45 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -84.81 -8.08 83.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 31.8 mt -112.81 12.38 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.83 -29.81 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -77.42 -18.23 57.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 35.9 m -107.4 -12.01 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.31 136.5 33.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 t -86.07 151.78 23.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -44.47 -30.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -79.69 -38.55 33.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -63.89 -42.72 97.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.19 -39.57 66.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.94 -44.23 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 56.7 t80 -47.54 -38.9 15.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 13.3 mt -80.86 -20.93 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.549 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -72.63 -44.8 61.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 64' ' ' ALA . . . -60.2 -63.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.583 ' NH1' ' CZ ' ' A' ' 33' ' ' TYR . 51.0 mtt85 -54.88 -47.06 74.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 9.8 t80 -58.05 -40.75 81.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.53 -18.88 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -82.32 -47.69 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.553 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 1.9 m -65.84 -27.2 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.4 ' N ' HG21 ' A' ' 41' ' ' VAL . 45.6 mmtt -86.83 -51.03 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.76 -64.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.0 -131.59 9.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.25 121.87 12.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.7 t -45.23 117.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.18 -29.4 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.7 p -60.5 146.97 84.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.601 0.715 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.92 55.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -55.51 129.36 69.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.51 0.672 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.2 Cg_endo -69.75 167.91 23.05 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -70.51 155.69 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -64.83 -43.57 92.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.576 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.8 m-85 -68.11 -26.02 65.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -80.07 58.46 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -52.53 -55.52 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -40.59 -46.82 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.74 -14.64 60.91 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.457 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 22.3 ttpp -70.98 -64.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -43.52 -52.06 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.549 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.2 mtpt -50.75 -54.92 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.504 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.3 t90 -57.96 -39.21 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LYS . 19.4 mt-10 -62.26 -68.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.464 ' CB ' ' HB1' ' A' ' 36' ' ' ALA . . . -36.83 -51.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.66 -33.39 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.5 tptt -62.44 -45.93 90.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.44 -22.6 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.6 mt -89.32 52.41 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.92 -73.32 0.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -109.38 51.12 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 m -89.82 131.5 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -67.41 155.52 90.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.676 0.751 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.355 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 p -56.21 -46.08 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -61.27 -20.26 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . . . -91.52 -21.48 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.533 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 12.6 mtm -87.08 -28.3 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.37 -49.9 73.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.39 -31.88 58.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 11.2 t80 -63.03 -30.86 71.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 82' ' ' ALA . 7.8 mt -85.33 -64.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.64 -57.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 p -43.34 -59.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 85' ' ' LYS . 1.2 m -49.94 -24.0 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.46 ' N ' HG21 ' A' ' 84' ' ' VAL . 2.3 mtpm? -76.42 -44.13 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -30.45 68.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -77.68 -43.09 32.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -131.74 94.76 24.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.06 36.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.77 31.05 4.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 16.9 t90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.8 0.334 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -51.1 -53.82 30.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 9' ' ' ALA . 6.5 pt-20 -36.31 -39.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.05 -44.39 48.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 74.7 t80 -50.68 -29.81 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -75.68 -50.09 16.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -61.79 -57.57 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.12 -51.69 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.23 -45.63 11.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.64 75.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -71.4 -33.62 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -43.53 -54.11 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.29 -31.64 33.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.14 -12.87 72.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 88' ' ' ASP . 33.6 mt -109.24 16.65 22.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mm -65.87 -32.14 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -74.9 -17.79 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -107.57 -12.85 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.75 122.48 37.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ARG . 35.6 m -73.32 152.29 40.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' SER . 10.0 ptm180 -35.13 -52.0 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.2 -48.18 82.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -50.04 -45.02 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 31' ' ' LEU . 4.3 mm? -52.74 -52.85 54.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.31 -42.82 99.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -45.78 -38.39 7.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 15.2 mt -83.34 -26.33 30.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 1.7 t80 -67.59 -49.01 65.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.23 -62.74 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -54.27 -54.2 43.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -48.75 -37.03 17.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 19.0 mmmt -77.34 -21.3 53.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -83.36 -34.61 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 HG21 ' CZ ' ' A' ' 12' ' ' PHE . 3.1 m -78.25 -25.23 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -90.91 -43.93 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.0 -66.52 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.4 -137.36 12.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -54.03 108.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 t -36.33 106.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.7 p30 -112.39 34.9 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.9 p -123.66 149.08 57.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.562 0.696 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.91 66.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 23.3 ttmt -58.53 137.62 85.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.0 Cg_endo -69.71 -177.49 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -85.34 161.16 19.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -68.02 -38.65 82.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -72.85 -38.16 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.11 79.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -66.57 -56.2 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -42.38 -46.08 4.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.94 -16.95 71.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' PHE . 23.9 ttpp -70.63 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.304 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.0 -45.37 61.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -56.42 -62.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.504 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 92.4 t90 -50.77 -41.46 56.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' LYS . 15.1 mt-10 -61.45 -71.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -36.04 -51.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.3 t90 -71.35 -34.05 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' GLU . 45.6 tptt -60.17 -40.05 88.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.38 -24.43 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.5 mt -90.34 50.94 1.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.37 -49.83 11.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.49 21.93 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -80.73 178.57 8.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -122.8 157.21 60.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -50.53 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -62.76 -32.64 73.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -75.81 -19.81 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.1 -22.39 27.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.3 mtt -80.12 -45.73 17.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -47.37 -48.07 25.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -76.12 -45.91 31.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.8 t80 -52.21 -32.62 37.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.467 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.3 mt -84.38 -64.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.49 -56.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.42 HG12 ' CD2' ' A' ' 34' ' ' LEU . 2.1 p -42.97 -56.82 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.1 m -51.26 -26.88 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.465 ' N ' HG23 ' A' ' 84' ' ' VAL . 3.9 mtpm? -72.46 -34.43 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -32.7 68.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.5 mt -73.98 -40.28 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.468 ' CB ' HD21 ' A' ' 22' ' ' LEU . 8.5 t0 -138.52 104.96 7.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.537 0.684 . . . . 0.0 110.894 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.72 -34.5 14.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.222 . . . . 0.0 112.397 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.41 49.5 2.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.8 t90 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.801 0.334 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.46 -52.56 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -38.98 -36.48 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.39 -44.8 28.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.0 t80 -47.71 -34.37 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.25 -53.03 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -58.08 -54.03 51.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.26 32.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.077 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.91 -46.15 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -24.23 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -81.67 -32.21 31.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.0 -46.09 16.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -59.44 -33.12 70.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.23 -13.0 72.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.43 HD22 ' CB ' ' A' ' 88' ' ' ASP . 52.9 mt -106.09 14.68 27.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.03 -32.11 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -75.7 -20.99 58.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.78 -12.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.11 135.25 34.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLU . 78.7 p -85.53 145.71 27.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -37.5 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 22.5 mt-10 -75.5 -48.83 20.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' SER . 56.6 mt-30 -56.82 -34.12 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.96 -37.59 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 61' ' ' LYS . 2.9 tp -77.06 -39.38 50.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -50.72 -37.3 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 26.1 mt -82.96 -22.45 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.548 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -68.42 -44.98 73.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HB2' ' C ' ' A' ' 64' ' ' ALA . . . -59.27 -64.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -54.81 -44.38 73.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 4.6 t80 -62.32 -30.46 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 21.2 mmmt -82.46 -15.65 51.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -89.92 -38.19 13.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.527 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 2.9 m -73.66 -22.66 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -94.37 -50.68 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -91.24 -69.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.22 -149.06 16.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -42.37 123.51 2.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 t -60.51 113.79 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -111.89 -36.25 5.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.2 p -46.64 148.83 1.61 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.577 0.703 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 154.63 67.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -67.55 136.6 93.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.2 Cg_endo -69.73 169.48 18.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.398 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 t -71.58 150.81 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.68 -41.6 95.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.442 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 6.5 m-85 -66.25 -37.02 84.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -74.06 76.5 1.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -63.29 -55.85 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -38.52 -57.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.43 -15.61 80.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' PHE . 25.9 ttpt -73.64 -46.17 48.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.725 0.298 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -62.34 -44.71 95.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.506 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.4 mtpt -61.58 -54.54 41.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.518 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.6 t90 -58.9 -40.3 84.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' LYS . 13.3 mt-10 -61.18 -70.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.412 ' C ' ' HB2' ' A' ' 36' ' ' ALA . . . -37.0 -48.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.437 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.5 t90 -70.34 -34.49 72.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' GLU . 30.6 tptt -60.92 -41.97 97.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.67 -28.73 22.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.41 51.17 2.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.93 -76.39 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.82 51.79 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -87.05 173.51 9.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -111.98 155.53 43.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -50.82 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -41.91 98.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -66.82 -19.89 65.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.76 -20.73 24.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 25.1 mtt -83.62 -36.06 24.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -55.01 -50.89 67.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.51 -43.79 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 1.5 t80 -56.89 -26.05 58.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.2 mt -88.81 -64.5 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.78 -56.26 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 p -44.27 -57.57 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.3 m -50.68 -23.78 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 84' ' ' VAL . 41.1 mtpt -76.25 -33.25 59.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -32.14 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.412 HD22 ' CD ' ' A' ' 30' ' ' GLN . 8.7 mt -73.3 -41.1 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.43 ' CB ' HD22 ' A' ' 22' ' ' LEU . 8.8 t70 -137.28 104.98 8.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.5 Cg_endo -69.76 -28.6 25.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.55 52.65 4.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 19.0 t90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.82 0.343 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -41.17 -56.25 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 5.4 pt-20 -36.22 -52.48 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 4.5 mm? -62.49 -53.05 60.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 78.0 t80 -44.03 -34.78 1.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -70.83 -45.07 65.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -69.7 -55.1 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.82 -47.53 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.62 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.04 77.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.71 -31.69 72.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.447 HD12 ' CD1' ' A' ' 34' ' ' LEU . 2.3 tt -44.84 -53.57 7.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -53.17 -27.99 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.57 -12.85 66.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 32.9 mt -109.79 16.6 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.74 -35.78 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -71.66 -17.14 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 21.3 m -108.4 -15.17 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.18 113.82 22.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.6 m -65.33 152.98 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -40.33 -34.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -76.21 -44.55 37.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -54.84 -39.83 68.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.67 -41.97 74.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.442 ' CD1' ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -74.87 -48.03 27.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.628 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 33.9 t80 -42.41 -54.31 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 44.6 mt -59.79 -33.63 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 8.3 t80 -68.62 -53.31 23.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.58 -69.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.628 ' NH2' ' CD2' ' A' ' 33' ' ' TYR . 23.7 mtm-85 -59.09 -46.13 89.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -50.7 -31.44 16.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 20.9 mmmt -84.12 -28.69 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -71.36 -34.77 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.498 HG22 ' CZ ' ' A' ' 12' ' ' PHE . 1.9 m -73.74 -26.22 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -87.98 -51.25 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.0 t -97.35 -64.97 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.51 -118.29 4.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' CYS . 9.2 m120 -64.36 135.24 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' ASN . 21.1 t -35.94 105.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 45' ' ' ASN . 3.3 m120 -107.08 23.73 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.0 p -136.65 153.85 76.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 111.164 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 159.45 53.33 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 60.7 tttt -72.16 129.51 87.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.74 148.18 64.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -61.22 170.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -76.22 -36.94 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.98 -32.93 74.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -85.06 79.29 9.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -65.34 -58.51 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' PHE . 33.8 mt-10 -35.01 -59.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.23 -30.91 73.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 32.2 ttpt -51.9 -57.15 10.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 2.9 pt20 -54.46 -43.6 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 18.0 mtpt -55.89 -55.27 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.514 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 70.5 t90 -61.07 -47.21 87.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.92 -65.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.35 -52.65 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.518 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 12.7 t90 -71.93 -26.01 62.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.489 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 30.1 tptt -68.9 -41.63 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.3 -19.79 15.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.94 51.44 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.88 -40.13 52.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.75 38.03 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -93.23 -175.07 3.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.6 m -130.11 157.57 76.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.717 0.77 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -36.72 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -73.0 -20.18 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.61 -26.04 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.568 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 13.1 mtt -77.43 -32.38 54.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -58.81 -49.42 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.51 -35.06 68.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 14.1 t80 -64.74 -27.76 69.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 82' ' ' ALA . 9.2 mt -90.0 -66.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.461 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -32.81 -55.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.401 ' CG1' HD23 ' A' ' 34' ' ' LEU . 2.5 p -44.54 -58.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.2 m -49.58 -25.69 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.464 ' N ' HG23 ' A' ' 84' ' ' VAL . 46.2 mtpt -81.03 -31.45 34.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.483 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -68.51 -26.59 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.97 -46.14 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -121.68 91.13 48.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.815 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.77 9.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.44 45.76 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 14.7 t90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.898 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -67.09 -52.95 35.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.8 mm-40 -38.4 -50.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -61.35 -37.12 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 53.5 t80 -61.97 -30.05 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.77 -47.25 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -71.51 -56.51 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.13 -39.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.05 -45.19 71.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.85 -25.63 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.438 ' CD2' HD13 ' A' ' 22' ' ' LEU . 1.9 t60 -78.84 -33.37 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.18 -45.65 16.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -62.03 -27.91 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.71 -14.32 63.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 88' ' ' ASP . 23.4 mt -108.15 17.94 21.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.7 mm -67.65 -37.67 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -71.21 -20.34 62.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.2 m -103.5 -13.93 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.45 142.14 27.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' GLN . 73.3 m -91.37 145.08 24.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' SER . 11.2 ptp180 -35.37 -40.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mp0 -64.74 -46.77 80.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' SER . 76.1 mt-30 -60.33 -42.24 95.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.55 -34.72 59.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.414 ' CD1' ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -81.29 -43.51 19.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -47.03 -34.75 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 15.1 mt -82.79 -24.29 33.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -69.14 -42.35 76.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.72 -62.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.465 ' NE ' ' HB2' ' A' ' 79' ' ' GLU . 16.5 mtp85 -50.27 -49.82 52.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 4.5 t80 -54.91 -40.28 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -76.02 -15.35 60.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -88.51 -35.24 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.556 HG21 ' CZ ' ' A' ' 12' ' ' PHE . 2.0 m -76.98 -25.11 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -90.48 -52.13 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.25 -68.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.56 -132.06 9.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -56.33 118.33 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.0 t -38.49 125.37 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -130.53 33.67 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.1 p -130.51 150.29 75.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.529 0.68 . . . . 0.0 111.169 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 150.14 67.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 54.5 tttt -62.76 131.03 94.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.532 0.682 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.519 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.77 142.41 47.81 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.722 2.281 . . . . 0.0 112.344 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -50.28 149.53 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -56.18 -43.29 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.497 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 m-85 -57.07 -47.01 82.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.42 78.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -67.46 -57.14 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.1 mt-10 -37.82 -52.77 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.97 -19.7 77.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' PHE . 32.6 ttpt -69.2 -55.5 10.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.736 0.303 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -53.03 -47.39 68.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.539 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.6 mtpt -61.96 -43.86 97.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.519 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 85.9 t90 -62.31 -46.54 88.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -58.53 -62.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.06 -59.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.055 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -63.59 -40.75 97.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -53.08 -51.85 60.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.34 -28.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.2 mt -87.59 50.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.36 -54.59 28.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -103.86 38.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -82.8 -178.85 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m -124.99 152.98 71.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -66.21 -36.73 83.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -72.33 -21.9 61.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -80.54 -28.06 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 13.8 mtt -78.91 -30.3 44.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.09 -54.19 47.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.465 ' HB2' ' NE ' ' A' ' 37' ' ' ARG . 38.5 mm-40 -75.53 -39.34 58.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 17.8 t80 -53.77 -37.76 63.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 82' ' ' ALA . 8.9 mt -82.59 -61.54 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.92 -56.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.438 HG13 ' CD2' ' A' ' 34' ' ' LEU . 2.5 p -44.27 -57.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.2 m -49.82 -25.23 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.462 ' N ' HG22 ' A' ' 84' ' ' VAL . 4.6 mtpm? -81.2 -33.99 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.489 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -65.65 -26.5 67.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.73 -42.57 13.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.47 ' CB ' HD21 ' A' ' 22' ' ' LEU . 11.6 t70 -132.19 92.33 29.25 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.833 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -15.27 36.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.46 26.09 5.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.5 t90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.882 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -76.27 -51.67 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 3.8 pt-20 -35.38 -38.92 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 3.7 mm? -75.53 -44.09 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.532 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 88.7 t80 -46.34 -38.99 9.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.07 -56.95 6.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -51.3 -53.17 38.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.77 -51.92 35.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.91 -47.2 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.48 69.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -76.4 -31.2 57.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.405 ' C ' HD22 ' A' ' 19' ' ' LEU . 1.1 tt -46.41 -48.63 18.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -55.14 -29.22 57.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.7 -14.93 62.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.405 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 23.6 mt -106.44 15.27 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.95 -32.55 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.41 -21.31 56.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 23.4 m -102.66 -14.42 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.27 128.15 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' GLN . 62.7 m -81.33 150.07 28.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -37.78 -40.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 49.7 mt-10 -68.74 -44.39 73.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' SER . 17.0 mm-40 -58.9 -42.36 89.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -50.83 -43.74 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.1 tp -69.45 -54.32 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.638 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 29.9 t80 -35.63 -56.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 26.2 mt -58.41 -37.04 74.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.2 t80 -66.42 -47.09 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.63 -66.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.638 ' NH2' ' CD2' ' A' ' 33' ' ' TYR . 20.3 mtm-85 -63.14 -52.0 64.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.51 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 2.9 t80 -44.92 -41.58 7.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 17.0 mmmt -76.92 -24.89 52.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' ARG . 33.1 tp60 -76.33 -36.74 58.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 76' ' ' ALA . 3.1 m -77.01 -22.95 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -90.33 -43.54 10.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 t -102.1 -66.91 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.71 -122.11 4.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -61.1 133.34 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.6 t -77.05 53.68 0.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -53.9 -29.25 41.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 p -44.83 149.94 0.77 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 147.95 64.05 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.515 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 72.7 tttt -64.95 135.14 96.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.76 155.16 66.67 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.316 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -69.42 151.75 45.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -54.22 -39.47 66.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -57.21 -61.49 2.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.79 86.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -69.77 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.5 mt-10 -35.17 -45.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.5 -36.59 43.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 19.5 ttpp -47.87 -65.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -50.09 -44.87 52.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -54.58 -49.97 69.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.521 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 79.9 t90 -63.21 -46.06 88.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.13 -66.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -38.4 -53.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.444 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 14.0 t90 -70.3 -32.86 70.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -60.88 -51.04 70.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.26 -35.88 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.4 mt -83.47 53.23 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.34 -64.98 2.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.63 20.19 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.5 p -71.5 -176.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -123.02 159.64 53.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.648 0.737 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.99 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.284 . . . . 0.0 112.334 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 t -62.17 -48.13 81.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -58.97 -15.67 14.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.463 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . . . -92.34 -29.26 16.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.532 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 16.2 mtt -76.69 -26.72 55.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -63.25 -45.46 91.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.84 -36.04 50.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 24.8 t80 -60.0 -27.35 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 11' ' ' LEU . 5.8 mt -89.7 -65.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.67 -56.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 p -43.58 -58.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.2 m -50.45 -24.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.464 ' N ' HG23 ' A' ' 84' ' ' VAL . 3.2 mtpm? -75.51 -39.67 58.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -30.86 71.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 5.0 mt -80.22 -34.27 37.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -133.56 93.44 21.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.87 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -101.96 48.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.4 t90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.941 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -66.79 -56.27 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -38.07 -45.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 1.5 mm? -68.06 -37.87 81.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.553 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 83.1 t80 -57.67 -31.84 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.9 -50.09 16.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -57.53 -53.93 52.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.56 -47.65 49.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.59 -47.57 19.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.18 68.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -78.08 -31.38 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.76 -50.45 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.13 -24.42 54.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.92 -12.69 60.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 23.7 mt -109.71 14.18 23.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -60.68 -33.59 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -71.34 -23.22 61.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 30.6 m -103.98 -13.42 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.93 112.01 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -68.64 155.1 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.08 -37.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.78 -50.41 36.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -50.76 -41.35 56.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.11 -46.15 72.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 35' ' ' TYR . 1.7 tp -69.21 -53.39 20.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.647 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 18.8 t80 -36.91 -56.05 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 56.9 mt -61.51 -32.7 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.499 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 5.2 t80 -69.41 -43.75 72.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.23 -64.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.647 ' NH2' ' CD2' ' A' ' 33' ' ' TYR . 28.5 mtm-85 -64.33 -43.05 95.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 2.9 t80 -53.0 -36.1 60.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 22.0 mmmt -80.17 -27.15 39.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -73.64 -29.3 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.479 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 1.9 m -85.15 -28.5 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -86.82 -41.26 14.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.2 t -98.97 -65.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.62 -143.67 17.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ASN . 28.0 t-20 -50.05 116.85 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' ASN . 5.8 t -37.34 95.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASN . 5.3 p-10 -107.86 26.8 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 p -117.7 153.7 50.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 148.93 66.48 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 26.9 ttmt -70.93 138.81 85.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.72 162.12 43.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -66.78 171.01 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -75.76 -36.99 59.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.423 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 15.9 m-85 -70.75 -41.04 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.84 80.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -68.38 -57.33 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.8 mt-10 -36.67 -52.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.31 -26.45 65.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' PHE . 22.8 ttpp -55.23 -59.25 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.35 -49.23 61.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.499 ' HE2' ' CZ ' ' A' ' 35' ' ' TYR . 19.8 mtpt -50.53 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.512 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 88.0 t90 -51.38 -37.9 50.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' ALA . 20.6 mt-10 -64.09 -71.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.26 -53.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -66.9 -43.97 82.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -50.34 -48.24 55.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.66 -27.44 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.72 49.73 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.83 -64.84 3.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -102.48 45.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -98.76 130.91 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -67.04 157.9 83.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.5 t -57.93 -49.22 77.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -55.38 -24.52 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.463 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . . . -83.59 -31.09 26.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.553 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 15.0 mtt -75.22 -29.24 60.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.2 -49.61 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -74.71 -33.78 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 8.1 t80 -63.02 -29.72 71.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.8 mt -87.49 -66.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.81 -56.83 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 p -43.54 -59.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.3 m -49.49 -23.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.47 ' N ' HG22 ' A' ' 84' ' ' VAL . 3.1 mtpm? -76.85 -40.0 49.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.17 -40.29 38.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.4 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . 18.9 t0 -134.54 94.55 17.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -13.5 34.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.388 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.44 41.31 3.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.2 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -69.7 -52.34 26.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' ALA . 3.4 pt-20 -35.61 -41.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -75.57 -45.78 35.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.484 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 79.8 t80 -46.23 -28.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -76.27 -53.76 7.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -59.28 -48.68 80.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.29 -50.96 36.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.74 -39.86 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.44 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -76.29 -31.04 58.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.94 -48.28 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -55.23 -31.93 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.4 -11.29 72.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 88' ' ' ASP . 50.9 mt -106.3 13.86 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.751 0.31 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -65.97 -35.71 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.66 -18.93 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -110.76 -10.32 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.39 122.94 37.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ARG . 26.4 m -78.01 154.22 31.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 27' ' ' SER . 10.1 ptt85 -36.84 -51.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -56.37 -45.13 80.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -55.49 -51.81 65.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.32 -42.84 32.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 35' ' ' TYR . 1.6 tp -71.23 -52.68 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -40.15 -40.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.527 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 17.8 mt -77.15 -31.62 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.532 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.8 t80 -62.91 -58.66 6.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CD1' ' A' ' 35' ' ' TYR . . . -44.76 -68.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' NH2' ' OE2' ' A' ' 79' ' ' GLU . 15.9 mtt-85 -46.39 -50.74 16.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -50.22 -48.13 54.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -67.91 -16.85 64.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.401 ' NE2' ' HG ' ' A' ' 71' ' ' SER . 32.7 tp60 -84.7 -44.47 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.484 HG21 ' CZ ' ' A' ' 12' ' ' PHE . 3.4 m -69.89 -26.74 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -86.22 -52.88 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 t -90.01 -66.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.39 -141.88 13.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -55.3 115.29 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.6 t -39.35 126.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -126.15 -34.45 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.3 p -48.64 149.18 3.12 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.609 0.718 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 147.54 63.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.53 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 51.5 tttt -60.45 131.38 90.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.76 156.81 62.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.645 2.23 . . . . 0.0 112.358 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -61.47 164.86 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -74.35 -44.01 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -67.7 -13.62 62.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.39 72.15 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -65.38 -54.74 24.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' PHE . 39.9 mt-10 -35.71 -44.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.79 -20.28 37.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' PHE . 26.9 ttpt -63.64 -67.9 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -39.36 -48.6 1.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.532 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 25.2 mtpt -53.88 -57.89 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CH2' ' HD3' ' A' ' 66' ' ' LYS . 63.1 t90 -49.94 -61.34 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' LYS . 29.8 mt-10 -42.13 -65.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.22 -49.29 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.495 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 16.5 t90 -74.84 -21.31 59.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.55 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 14.4 tptm -74.75 -48.06 27.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.3 -27.3 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.56 50.3 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.66 -48.92 46.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -109.02 37.45 2.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.32 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.401 ' HG ' ' NE2' ' A' ' 40' ' ' GLN . 3.7 p -93.08 -178.62 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -126.68 158.83 66.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -50.61 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.73 -32.78 74.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -73.54 -21.1 60.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.415 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -84.12 -26.7 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 12.4 mtt -75.95 -34.7 59.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.01 -58.86 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' OE2' ' NH2' ' A' ' 37' ' ' ARG . 12.7 mt-10 -67.28 -33.11 74.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.527 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 6.2 t80 -63.09 -30.59 71.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.2 mt -87.28 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.7 -55.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.4 ' CG1' HD23 ' A' ' 34' ' ' LEU . 2.2 p -44.95 -58.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.7 m -49.56 -22.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.072 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 84' ' ' VAL . 3.2 mtpm? -79.3 -41.44 28.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -28.68 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.1 -41.53 22.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.461 ' CB ' HD23 ' A' ' 22' ' ' LEU . 31.5 t70 -131.53 93.44 28.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -7.07 20.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.13 35.92 4.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.4 t90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.11 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 3.0 pt-20 -42.28 -37.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.3 -42.04 23.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.542 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 72.0 t80 -49.59 -41.16 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.74 -55.33 20.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' A' ' 10' ' ' GLU . 21.2 mtmm -55.55 -57.24 12.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.2 -49.04 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.6 -46.71 19.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.31 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.45 -32.26 68.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tt -45.79 -52.06 11.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -54.49 -29.43 50.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.54 -12.89 66.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.435 HD22 ' CB ' ' A' ' 88' ' ' ASP . 27.7 mt -107.89 16.85 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.8 mm -68.61 -33.86 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.16 -16.89 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -107.69 -19.41 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.83 149.02 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ARG . 26.6 m -103.88 154.28 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' SER . 13.9 ptp180 -34.93 -43.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.26 -63.63 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -43.72 -50.13 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.55 -34.08 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -84.61 -46.8 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -46.79 -37.47 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 19.7 mt -81.02 -23.62 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.55 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.2 t80 -72.89 -45.9 55.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.08 -64.7 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' NE ' ' HB2' ' A' ' 79' ' ' GLU . 14.6 mtp85 -49.65 -42.82 46.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 5.6 t80 -59.08 -45.02 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -71.25 -13.88 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 40.5 tp60 -87.01 -40.26 14.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.509 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 2.1 m -71.08 -25.86 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -89.45 -51.82 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 t -87.42 -68.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.25 -102.35 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -81.37 111.95 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.9 t -41.48 113.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.78 37.31 4.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 p -121.76 146.72 46.48 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.56 0.695 . . . . 0.0 111.172 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.42 48.0 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -54.03 129.74 58.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.79 155.08 66.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.301 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -54.8 156.84 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -68.29 -42.69 79.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.501 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 9.9 m-85 -66.03 -33.24 75.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.1 76.41 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.501 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -66.3 -57.28 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -38.14 -46.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.66 -22.63 59.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 56' ' ' PHE . 25.1 ttpp -67.04 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -39.35 -50.65 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 84.4 mttt -57.17 -62.38 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.514 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 85.6 t90 -43.97 -44.22 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 66' ' ' LYS . 18.0 mt-10 -60.38 -68.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -34.12 -53.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -71.27 -37.4 71.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' GLU . 20.2 tptt -55.72 -39.74 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.95 73.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.474 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 10.9 mt -80.13 53.44 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.46 -26.46 47.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -123.43 25.42 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -90.8 -175.65 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -123.67 158.58 58.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.53 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -63.52 -37.37 87.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -69.57 -20.64 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.02 -29.59 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.542 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 31.1 mtt -74.57 -34.73 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.24 -56.19 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.459 ' HB2' ' NE ' ' A' ' 37' ' ' ARG . 5.3 mm-40 -71.59 -34.98 70.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.8 t80 -60.03 -31.92 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.5 mt -85.76 -64.9 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.72 -56.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 p -44.0 -57.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.2 m -51.21 -23.81 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.466 ' N ' HG22 ' A' ' 84' ' ' VAL . 34.0 mtpt -76.07 -38.0 57.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -31.0 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 mt -75.46 -46.04 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.435 ' CB ' HD22 ' A' ' 22' ' ' LEU . 23.0 t70 -127.95 101.85 22.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.621 0.724 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -18.51 36.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.57 50.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 17.0 t90 . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.809 0.337 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -48.03 -60.3 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . 29.1 mm-40 -35.2 -53.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' PHE . 1.6 mm? -63.88 -53.15 54.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.545 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 67.4 t80 -36.42 -36.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.47 -54.77 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -48.86 -51.95 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.3 -50.37 67.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.1 -45.94 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -29.48 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -76.6 -29.89 56.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.5 -47.49 27.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -57.11 -27.03 61.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.44 -11.97 63.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.6 mt -108.86 13.45 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 mm -63.19 -34.77 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -72.07 -22.22 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -103.73 -13.06 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.19 123.28 39.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 p -74.79 156.88 36.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 29' ' ' GLU . 3.0 ppt_? -43.61 -34.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 27.0 mt-10 -72.37 -44.87 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.57 -35.99 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.57 -34.47 77.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.33 -42.93 29.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -49.24 -38.94 28.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 22.3 mt -83.39 -20.18 34.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 2.7 t80 -76.12 -48.16 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HB1' ' N ' ' A' ' 65' ' ' TRP . . . -57.79 -61.02 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.7 mtt-85 -53.45 -44.56 68.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -56.43 -33.89 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -80.91 -20.34 42.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 5.0 tp-100 -80.79 -32.2 35.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.545 HG22 ' CZ ' ' A' ' 12' ' ' PHE . 2.8 m -81.43 -22.87 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -97.18 -52.65 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 t -86.22 -68.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.91 -147.51 18.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -44.56 125.99 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.6 t -46.17 118.54 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.27 39.73 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.4 p -136.03 152.88 76.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.633 0.73 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 148.39 64.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -68.44 138.14 91.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.462 ' CG ' ' HA ' ' A' ' 59' ' ' LYS . 53.8 Cg_endo -69.7 164.96 32.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -85.04 147.19 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -46.08 -40.49 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -57.97 -55.28 36.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.7 83.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -67.92 -60.27 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' PHE . 25.5 mt-10 -36.52 -44.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.41 -30.65 48.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' PHE . 21.1 ttpp -53.79 -64.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -50.91 -46.85 60.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -53.82 -60.1 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.465 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 80.4 t90 -53.73 -45.0 70.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 66' ' ' LYS . 32.5 mt-10 -58.69 -69.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -35.92 -52.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.431 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 15.3 t90 -72.28 -31.01 65.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 63' ' ' GLU . 42.9 tptt -62.64 -40.69 97.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.04 -30.72 60.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 55.6 mt -84.76 52.35 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.04 -75.48 0.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -112.23 51.17 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 m -90.85 135.03 34.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -63.0 154.0 78.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.15 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 p -58.58 -48.79 79.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -55.8 -21.5 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.17 -30.95 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.506 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 6.1 mtt -74.02 -32.73 63.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.21 -45.97 86.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -76.99 -42.97 36.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 2.4 t80 -54.46 -32.49 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 82' ' ' ALA . 4.7 mt -86.55 -65.7 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.82 -56.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.414 HG12 ' CD2' ' A' ' 34' ' ' LEU . 2.3 p -44.72 -58.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.5 m -48.36 -22.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 84' ' ' VAL . 23.6 mtpp -79.76 -35.78 38.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -29.42 69.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -79.92 -39.67 29.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -134.12 92.13 22.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 2.82 3.14 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.78 33.73 6.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.3 t90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.896 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -46.69 -53.12 12.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -35.94 -58.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -56.97 -54.43 46.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 38' ' ' TYR . 83.8 t80 -34.28 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' LEU . 10.4 mm-40 -76.72 -46.07 26.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.77 -56.54 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.33 -41.4 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.86 65.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -31.94 73.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -71.3 -33.59 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tt -44.13 -53.34 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -55.18 -27.48 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.89 -11.52 67.72 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 29.8 mt -111.32 15.84 21.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.6 mm -64.07 -33.42 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -74.0 -21.09 60.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 27.5 m -104.39 -15.09 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.03 128.6 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 28' ' ' ARG . 65.3 m -77.2 146.61 36.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' SER . 3.5 ptp180 -35.34 -41.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.46 -50.81 63.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' SER . 20.1 mt-30 -52.24 -43.43 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.21 -42.03 60.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.8 tp -74.86 -46.03 39.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -43.59 -39.91 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 19.9 mt -77.12 -28.37 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.7 t80 -67.92 -49.45 61.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.69 -66.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.463 ' NE ' ' HB2' ' A' ' 79' ' ' GLU . 19.1 mtp85 -47.33 -51.36 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 17.9 t80 -52.76 -44.5 66.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -71.91 -13.01 61.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -89.02 -40.91 12.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.549 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 1.7 m -70.48 -25.78 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -89.68 -48.59 7.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.8 t -94.95 -65.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.88 -128.12 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -59.08 114.58 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.4 t -56.94 97.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -89.07 -38.71 14.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.7 p -40.19 146.17 0.43 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 154.95 67.02 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.276 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.537 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 60.0 tttt -62.55 134.3 95.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.73 171.15 14.96 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -71.47 153.09 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -63.86 -40.27 96.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.83 -42.12 81.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -67.53 80.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -65.93 -61.12 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' PHE . 24.9 mt-10 -34.93 -51.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.52 -33.68 47.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.449 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 28.7 ttpp -56.16 -64.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.714 0.293 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -47.4 -42.35 21.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -60.19 -56.37 22.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.543 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 86.6 t90 -55.55 -46.5 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' LYS . 19.2 mt-10 -55.19 -68.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -38.97 -50.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.489 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 14.9 t90 -74.8 -24.82 58.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.543 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.0 tptt -70.32 -45.23 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.1 -20.08 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.82 51.2 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.89 -50.17 49.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -109.09 40.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 m -88.69 -178.28 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -125.57 156.15 71.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.708 0.766 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.13 -40.79 90.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.39 -24.92 65.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.65 -25.23 38.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.515 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.7 mtm -82.26 -27.99 32.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.58 -52.33 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' HB2' ' NE ' ' A' ' 37' ' ' ARG . 77.8 mm-40 -76.22 -33.96 59.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.4 t80 -61.59 -36.34 80.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.471 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.3 mt -82.79 -62.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.51 -57.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.416 HG13 ' CD2' ' A' ' 34' ' ' LEU . 2.2 p -39.47 -59.74 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.0 OUTLIER -48.78 -32.51 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.474 ' N ' HG23 ' A' ' 84' ' ' VAL . 6.3 mtmt -74.13 -34.42 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.473 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -64.2 -29.09 70.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.62 -42.14 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -134.51 95.21 16.32 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.809 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -20.28 34.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.01 40.9 3.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.4 t90 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.855 0.36 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -56.72 -53.87 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' ALA . 2.1 pt-20 -35.63 -39.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.07 -46.69 41.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.563 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 81.5 t80 -45.1 -37.77 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.67 -55.94 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -56.73 -55.49 33.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.72 -51.1 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.39 -44.04 34.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.56 75.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.6 t60 -71.16 -35.41 71.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 34' ' ' LEU . 2.2 tt -41.45 -52.95 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -50.74 -34.37 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -83.75 -14.72 72.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.537 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 88' ' ' ASP . 36.2 mt -106.32 13.87 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.336 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.7 mm -64.52 -30.43 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.04 -21.0 55.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 27.4 m -101.93 -16.59 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.33 131.49 37.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' GLN . 1.5 m -84.04 151.75 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.795 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.0 ptp180 -36.37 -45.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.833 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.19 -42.71 96.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' SER . 10.0 mt-30 -60.92 -36.08 78.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 31' ' ' LEU . 4.5 mm? -59.18 -47.0 86.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.4 tp -63.75 -50.64 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.727 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 28.7 t80 -41.8 -45.88 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 19' ' ' LEU . 30.0 mt -70.84 -27.21 63.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 5.4 t80 -72.85 -53.84 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.67 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.08 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.727 ' NH2' ' CD2' ' A' ' 33' ' ' TYR . 80.1 mtm180 -51.27 -50.88 58.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -47.56 -31.2 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -82.32 -30.14 30.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -75.92 -27.39 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.563 HG22 ' CZ ' ' A' ' 12' ' ' PHE . 3.2 m -87.48 -26.31 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -93.26 -52.32 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.1 t -82.29 -69.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.42 -118.38 2.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' ASN . 12.3 m120 -80.29 123.98 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.9 t -53.89 85.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' ASN . 10.0 p30 -99.48 30.87 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 p -111.27 148.69 39.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 111.174 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 155.16 66.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.236 . . . . 0.0 112.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -67.6 128.44 93.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.76 136.04 31.98 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -48.96 142.39 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 53' ' ' PHE . 5.4 t80 -50.16 -37.94 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 4.0 m-85 -57.52 -42.84 83.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -77.43 83.19 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -71.05 -58.47 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' PHE . 25.4 mt-10 -36.95 -42.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.66 -27.34 32.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 56' ' ' PHE . 22.5 ttpp -54.19 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 110.836 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -40.45 -55.67 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 7.0 mttp -49.27 -65.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.514 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 68.0 t90 -41.96 -47.87 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' LYS . 35.7 mt-10 -60.91 -71.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.48 -51.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.455 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.2 t90 -70.78 -33.7 71.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' GLU . 41.6 tptt -60.53 -44.61 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.25 -30.02 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.1 mt -81.31 52.91 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.12 -76.3 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -104.33 52.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.2 m -93.26 147.79 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -87.28 158.28 52.42 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.708 0.766 . . . . 0.0 110.818 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -50.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -34.87 74.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.38 -23.38 63.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HB1' ' CG1' ' A' ' 41' ' ' VAL . . . -86.64 -26.82 24.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 13.6 mtt -80.18 -35.48 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.12 -53.19 54.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.508 ' C ' ' NH1' ' A' ' 37' ' ' ARG . 6.3 mm-40 -75.48 -38.94 59.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.55 ' N ' ' NH1' ' A' ' 37' ' ' ARG . 6.5 t80 -50.7 -32.71 20.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 82' ' ' ALA . 9.4 mt -84.78 -60.57 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.91 -57.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.402 ' CG1' ' H ' ' A' ' 84' ' ' VAL . 2.8 p -44.04 -57.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.0 OUTLIER -49.19 -25.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.185 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.479 ' N ' HG23 ' A' ' 84' ' ' VAL . 18.9 mttm -80.64 -34.33 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -65.75 -25.75 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.02 -40.77 12.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.47 ' CB ' HD21 ' A' ' 22' ' ' LEU . 15.8 t0 -132.32 92.21 29.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.635 0.731 . . . . 0.0 110.862 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.7 Cg_endo -69.76 -27.13 26.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.23 44.42 2.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 14.3 t90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.955 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -52.9 -61.78 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' ALA . 56.4 mm-40 -35.42 -58.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -52.99 -54.84 29.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.466 ' N ' HD12 ' A' ' 81' ' ' ILE . 91.3 t80 -40.19 -29.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -74.93 -49.39 20.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -54.34 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.19 -49.76 11.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.19 -49.59 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.7 -32.54 67.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -70.45 -34.5 72.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.97 -53.74 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -53.97 -30.5 47.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.49 -13.49 65.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 88' ' ' ASP . 44.7 mt -107.69 17.43 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.318 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -66.67 -41.44 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -65.51 -18.75 65.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 m -106.03 -20.64 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.28 125.05 32.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' GLN . 52.8 m -75.8 150.14 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -38.06 -41.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.53 -41.77 75.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' SER . 29.6 mt-30 -59.57 -29.49 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -41.7 81.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.26 -41.08 77.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -50.21 -42.74 52.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 25.9 mt -80.63 -15.78 55.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -76.98 -41.28 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -62.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.467 ' NE ' ' HB2' ' A' ' 79' ' ' GLU . 21.0 mtp85 -51.42 -46.92 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 4.0 t80 -59.67 -38.96 82.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -73.82 -12.83 60.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -90.97 -46.9 7.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 42' ' ' LYS . 4.4 m -64.71 -21.53 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.442 ' N ' HG23 ' A' ' 41' ' ' VAL . 45.2 mmtt -94.77 -51.84 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -91.03 -60.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.27 -138.91 12.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 69' ' ' GLY . 1.2 m120 -63.39 115.94 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ASN . 7.7 t -35.92 119.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.7 38.4 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.1 p -130.57 144.42 53.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.85 63.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -53.46 127.8 50.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.536 0.684 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.7 159.06 54.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.268 . . . . 0.0 112.376 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -52.4 156.26 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 16.2 t80 -70.13 -19.1 63.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -79.39 -57.56 3.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -58.46 86.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -67.93 -56.11 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' PHE . 26.0 mt-10 -37.61 -47.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.95 -31.67 47.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' PHE . 18.3 ttpp -58.06 -66.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -44.81 -47.53 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 87.6 mttt -59.74 -56.87 16.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.523 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 53.1 t90 -45.24 -51.44 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LYS . 38.9 mt-10 -59.13 -66.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -36.73 -53.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.7 t90 -71.52 -31.28 66.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' GLU . 48.6 tptt -62.43 -48.18 80.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.27 -32.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.4 mt -83.81 50.07 1.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.495 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -52.01 -73.83 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.469 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.63 51.35 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -99.13 149.52 22.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -80.43 157.79 72.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 p -58.17 -45.03 88.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -59.06 -22.76 61.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.23 -27.78 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.85 -25.64 40.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.06 -46.4 89.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.467 ' HB2' ' NE ' ' A' ' 37' ' ' ARG . 9.1 mm-40 -78.99 -41.94 27.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 2.6 t80 -52.47 -33.71 45.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 12' ' ' PHE . 5.8 mt -84.92 -63.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.69 -56.88 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.415 HG13 ' CD2' ' A' ' 34' ' ' LEU . 2.3 p -44.33 -57.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.3 m -49.67 -23.79 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 84' ' ' VAL . 4.3 mtpm? -77.99 -36.35 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -67.61 -28.61 67.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.82 -43.04 18.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.431 ' CB ' HD23 ' A' ' 22' ' ' LEU . 16.9 t70 -131.55 96.97 19.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -19.44 36.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.716 2.277 . . . . 0.0 112.41 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.92 42.49 3.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 29.0 t90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.72 -43.24 72.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.464 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 4.6 pt-20 -46.57 -42.81 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 4.3 mm? -68.5 -48.56 64.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 92.5 t80 -43.75 -39.91 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.06 -56.31 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -54.07 -56.62 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.6 -45.89 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.55 -46.58 57.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.3 72.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -73.89 -31.58 63.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.426 ' C ' HD21 ' A' ' 19' ' ' LEU . 1.6 tt -45.42 -51.51 11.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -55.04 -27.71 46.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.33 -14.95 63.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.42 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 19.1 mt -107.46 19.62 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -68.27 -35.48 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.77 -19.17 59.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 32.6 m -103.46 -18.14 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.74 126.17 34.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' GLN . 3.4 t -74.6 148.7 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -38.03 -35.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -73.68 -43.37 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' SER . 67.2 mt-30 -59.7 -33.15 71.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.52 -37.08 82.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.3 tp -76.67 -51.92 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.645 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 44.1 t80 -37.46 -52.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 54.6 mt -58.67 -36.55 74.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' NZ ' ' A' ' 61' ' ' LYS . 7.5 t80 -65.95 -53.24 41.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.62 -71.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.645 ' NH2' ' CD2' ' A' ' 33' ' ' TYR . 19.5 mtm-85 -58.85 -48.34 81.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.7 t80 -47.28 -33.06 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 15.1 mmmt -82.9 -31.03 28.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -70.62 -30.7 67.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 76' ' ' ALA . 2.9 m -77.26 -22.83 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -93.16 -50.63 5.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -91.18 -70.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.52 -125.56 5.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -61.96 112.98 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 t -47.11 95.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -104.57 37.24 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 p -121.8 150.88 56.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 151.77 69.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.226 . . . . 0.0 112.371 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 54.4 tttt -64.76 135.05 96.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.8 150.53 68.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 t -65.15 156.05 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.99 -48.07 79.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.477 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 6.0 m-85 -50.71 -49.5 57.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.14 75.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -64.14 -54.27 36.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -42.55 -56.7 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.42 -27.62 73.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 22.5 ttpt -56.13 -58.6 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.72 0.295 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -54.02 -47.41 71.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.514 ' NZ ' ' CE2' ' A' ' 35' ' ' TYR . 27.7 mtpt -54.29 -60.43 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.518 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.7 t90 -50.19 -42.04 50.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -60.53 -66.92 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.38 -53.27 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -68.21 -34.19 75.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -60.86 -39.1 87.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.08 65.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -87.88 54.72 3.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.62 -38.35 28.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.446 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -113.71 34.74 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -95.06 -179.65 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -125.67 161.18 52.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -70.93 -21.81 62.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.463 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . . . -82.15 -28.62 32.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.557 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 26.8 mtt -75.43 -36.71 60.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -53.25 -44.19 67.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.04 -36.54 30.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 29.2 t80 -61.07 -29.07 69.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.0 mt -88.05 -65.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.172 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.62 -57.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 p -38.53 -60.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.479 HG21 ' N ' ' A' ' 85' ' ' LYS . 1.0 OUTLIER -49.34 -31.76 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.479 ' N ' HG21 ' A' ' 84' ' ' VAL . 44.5 mtpt -67.41 -33.47 75.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -37.25 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.03 -51.27 48.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -117.7 95.63 48.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 1.75 4.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.42 21.98 25.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . 0.461 ' CZ3' ' CG2' ' A' ' 84' ' ' VAL . 24.2 t90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 77' ' ' MET . 1.1 tm? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -52.82 -55.89 19.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.075 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 7.0 pt-20 -35.44 -51.02 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.06 -55.52 24.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.539 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.2 t80 -43.95 -37.97 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.57 -53.97 39.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -60.62 -56.05 25.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.45 -51.39 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.59 -45.54 18.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.02 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 21' ' ' GLY . 2.4 t60 -80.34 -33.38 37.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 34' ' ' LEU . 1.2 tt -44.64 -45.96 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -62.53 -29.97 70.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -88.27 -9.04 70.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 88' ' ' ASP . 47.4 mt -111.97 13.91 20.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -63.76 -35.32 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -70.55 -20.8 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 m -104.66 -18.53 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.25 126.12 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ARG . 71.2 m -80.25 156.41 26.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' SER . 25.1 mmt180 -34.07 -52.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -54.7 -60.4 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -39.02 -55.92 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -43.7 -39.39 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.7 tp -82.21 -52.04 7.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -40.43 -38.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 37.9 mt -75.65 -34.05 60.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.564 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -63.33 -44.25 95.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.89 -63.46 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.08 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 79' ' ' GLU . 65.3 mtt-85 -59.63 -50.47 73.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.428 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 5.9 t80 -51.45 -44.36 62.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 22.8 mmmt -73.08 -19.72 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 40.2 tp60 -81.41 -33.75 32.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.529 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 2.2 m -76.76 -26.12 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.423 ' N ' HG21 ' A' ' 41' ' ' VAL . 23.4 mmtp -87.68 -49.94 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.0 t -89.65 -65.82 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.7 -116.67 3.63 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' CYS . 9.4 m120 -73.09 104.63 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.856 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' ASN . 45.1 t -38.18 112.28 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -123.91 36.46 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 p -116.95 150.81 46.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 143.56 50.95 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.688 2.259 . . . . 0.0 112.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -55.87 135.96 72.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.534 0.683 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.505 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.84 175.57 8.0 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -75.79 164.03 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.86 -30.85 40.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -81.08 -15.7 55.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.29 82.24 3.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -66.92 -56.88 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' PHE . 18.1 mt-10 -37.03 -45.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.39 -22.93 49.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' PHE . 28.9 ttpt -66.71 -60.26 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -49.75 -53.44 24.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 25.9 mtpt -51.97 -56.38 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.548 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 90.3 t90 -53.17 -43.06 66.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' LYS . 26.0 mt-10 -58.83 -70.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -34.16 -54.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -68.77 -35.23 76.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.548 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.6 tptt -57.93 -44.21 86.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.85 -21.86 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.458 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 22.6 mt -91.69 50.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.34 -38.58 53.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -112.35 31.15 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 m -86.41 -179.54 6.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -125.45 155.92 71.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.83 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -34.42 77.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -76.73 -16.33 59.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.57 -22.81 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.539 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 16.8 mtt -78.47 -42.4 29.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -49.59 -54.3 19.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.425 ' HB2' ' CD ' ' A' ' 37' ' ' ARG . 78.5 mm-40 -67.42 -43.08 82.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 6.7 t80 -55.21 -34.28 63.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 82' ' ' ALA . 10.2 mt -82.83 -62.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -32.72 -54.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.435 ' CG1' HD21 ' A' ' 34' ' ' LEU . 2.8 p -46.68 -56.67 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.468 HG21 ' N ' ' A' ' 85' ' ' LYS . 1.1 m -49.93 -26.7 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.468 ' N ' HG21 ' A' ' 84' ' ' VAL . 30.8 mttm -79.8 -33.11 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -66.66 -26.31 66.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.18 -44.63 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.422 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . 11.3 t0 -128.17 88.58 52.44 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.75 14.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.72 33.8 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.527 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 8.2 t90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.2 tm? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -36.35 -58.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 9' ' ' ALA . 9.9 pt-20 -35.71 -47.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 3.4 mm? -65.97 -52.53 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.647 ' CZ ' ' CD2' ' A' ' 38' ' ' TYR . 72.7 t80 -39.51 -37.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -71.89 -56.79 5.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -53.05 -54.4 35.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.67 -46.99 20.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.49 -48.09 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.58 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -74.7 -30.41 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -46.49 -52.26 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -57.89 -23.56 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.49 -10.81 63.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' CB ' ' A' ' 88' ' ' ASP . 37.6 mt -112.43 19.02 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.58 -33.72 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -73.02 -17.44 61.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.9 m -109.76 -15.27 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.26 132.09 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.98 151.14 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 10.6 ptt180 -40.07 -35.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 2.2 mm-40 -75.72 -45.5 36.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -56.75 -36.27 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.7 -42.43 97.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.418 ' CD1' ' HG2' ' A' ' 61' ' ' LYS . 2.0 tp -73.04 -43.8 61.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -45.63 -37.96 6.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 24.1 mt -80.83 -28.38 36.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.569 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.8 t80 -66.97 -51.27 57.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HB1' ' C ' ' A' ' 64' ' ' ALA . . . -53.52 -64.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.075 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -53.44 -49.17 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.647 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 8.6 t80 -58.84 -33.41 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 17.8 mmmt -79.45 -13.3 59.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 3.3 tp-100 -94.77 -23.48 17.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.571 HG22 ' CZ ' ' A' ' 12' ' ' PHE . 4.9 m -88.65 -28.03 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 3.7 mmpt? -86.68 -53.37 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.7 t -87.83 -66.6 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.2 -143.5 15.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.51 112.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 t -46.35 125.58 6.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -127.04 -37.7 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.1 p -40.83 154.55 0.21 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 147.0 61.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -66.7 134.83 94.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.464 ' CG ' ' HA ' ' A' ' 59' ' ' LYS . 53.3 Cg_endo -69.76 152.7 69.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -70.65 158.7 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -57.51 -45.88 84.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 m-85 -54.63 -46.66 73.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.76 75.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -63.64 -59.14 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -37.52 -57.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.28 -28.52 73.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 26.6 ttpp -56.18 -56.23 23.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -56.63 -45.67 81.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 28.4 mtpt -56.64 -60.41 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.456 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.3 t90 -54.51 -48.89 71.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' LYS . 11.7 mt-10 -54.08 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -34.19 -51.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -65.63 -40.1 92.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' GLU . 47.9 tptt -56.27 -46.51 79.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.21 -31.52 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.496 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 30.7 mt -86.53 55.57 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.89 -78.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.65 54.27 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -92.51 124.92 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -52.32 150.99 7.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.741 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -51.25 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.715 2.276 . . . . 0.0 112.299 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 p -56.81 -40.95 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -65.89 -19.61 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . . . -95.17 -19.67 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.53 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.1 mtm -87.68 -38.41 15.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -54.4 -48.68 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.03 -43.2 45.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 1.3 t80 -52.03 -31.07 28.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 82' ' ' ALA . 8.1 mt -84.92 -62.31 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.75 -55.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.408 ' CG1' HD21 ' A' ' 34' ' ' LEU . 2.5 p -44.07 -57.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.5 m -49.74 -25.14 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.478 ' N ' HG23 ' A' ' 84' ' ' VAL . 20.7 mtpp -81.13 -35.94 30.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.483 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -63.13 -26.4 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.49 -47.66 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.466 ' CB ' HD22 ' A' ' 22' ' ' LEU . 30.4 t70 -123.88 93.15 47.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -10.21 28.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.649 2.233 . . . . 0.0 112.374 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.94 51.05 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.6 t90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.85 0.357 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -58.93 -62.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 13.7 pt-20 -36.59 -39.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 2.8 mm? -69.3 -47.3 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.565 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 44.9 t80 -48.2 -36.26 13.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -69.67 -48.52 59.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -61.64 -53.67 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.88 -48.01 42.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.37 -48.15 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.63 -30.58 71.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -74.78 -30.34 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.02 -52.56 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -55.94 -25.67 44.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.05 -11.58 67.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 88' ' ' ASP . 33.5 mt -111.19 17.76 20.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.2 mm -65.61 -39.78 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -68.5 -18.41 64.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.03 -16.57 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 128.88 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.1 t -80.91 146.88 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -36.16 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.2 mm-40 -75.18 -49.74 18.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' SER . 16.9 mm-40 -51.71 -48.21 63.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.7 -54.13 10.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.3 tp -59.51 -47.71 84.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.418 ' CE1' ' NH1' ' A' ' 37' ' ' ARG . 59.0 t80 -43.55 -42.79 5.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 23.5 mt -77.91 -26.04 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 5.8 t80 -65.42 -52.75 51.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.4 -65.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.454 ' CD ' ' HB2' ' A' ' 79' ' ' GLU . 37.8 mtt85 -54.35 -40.7 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 3.1 t80 -63.37 -35.22 79.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -77.31 -19.97 55.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -84.11 -30.3 26.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.565 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 2.8 m -80.89 -26.33 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.401 ' N ' HG21 ' A' ' 41' ' ' VAL . 40.7 mmtt -92.13 -47.32 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.8 t -96.46 -66.58 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.62 -151.17 16.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 69' ' ' GLY . 2.1 m-20 -49.86 114.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.344 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ASN . 14.9 t -35.93 124.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -126.53 36.26 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.0 p -127.55 143.75 48.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.74 55.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.366 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 tttp -45.2 128.52 5.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.76 172.0 13.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.314 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 t -73.79 135.95 43.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -47.16 -38.45 11.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -63.39 -48.35 78.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -64.29 82.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -49.34 64.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -47.12 -44.08 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.78 -22.84 54.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.539 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -63.63 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -45.85 -56.1 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 66.8 mttt -51.74 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.526 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 63.5 t90 -39.18 -48.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' LYS . 28.9 mt-10 -62.53 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.58 -52.23 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -72.73 -28.73 62.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.448 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 17.5 tptm -65.26 -48.48 73.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.79 -22.94 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.077 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.24 52.7 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.502 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -76.05 -38.42 35.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.4 32.45 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 m -92.04 -177.86 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -128.7 160.01 65.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.74 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.4 -32.44 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -75.51 -19.23 59.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.34 -23.82 22.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.415 ' HG2' ' CG ' ' A' ' 12' ' ' PHE . 26.3 mtt -78.57 -27.46 45.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.85 -46.14 89.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.454 ' HB2' ' CD ' ' A' ' 37' ' ' ARG . 70.8 mm-40 -78.66 -36.77 43.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.2 t80 -62.38 -26.86 68.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 12' ' ' PHE . 5.8 mt -90.73 -66.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.073 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.79 -56.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.4 HG13 ' CD2' ' A' ' 34' ' ' LEU . 2.5 p -43.99 -57.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.2 m -50.41 -24.45 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 84' ' ' VAL . 20.4 mtpp -76.08 -34.5 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.15 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.89 -38.38 57.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.455 ' CB ' HD23 ' A' ' 22' ' ' LEU . 16.0 t70 -134.32 93.47 19.19 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.708 . . . . 0.0 110.835 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.86 5.04 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.27 41.86 2.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.2 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.744 0.306 . . . . 0.0 110.938 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -115.34 175.69 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -44.49 160.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.59 152.48 20.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -110.81 36.16 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -76.82 160.81 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.32 158.23 9.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.76 -56.69 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -48.43 -55.92 9.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 5.5 pt-20 -35.05 -45.46 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 4.6 mm? -66.41 -51.19 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.56 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 53.5 t80 -47.15 -31.08 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.56 -49.67 38.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -62.59 -58.9 5.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.59 -50.53 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.68 -47.32 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -31.1 72.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.97 -32.83 65.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -44.74 -53.8 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -55.32 -26.89 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.09 -13.66 58.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.401 HD21 ' CB ' ' A' ' 88' ' ' ASP . 56.9 mt -110.02 19.18 19.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -66.9 -38.91 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.19 -26.39 65.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.89 -11.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.49 128.41 43.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.8 m -79.32 158.27 27.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.1 mmt-85 -39.68 -53.16 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -59.9 -41.71 92.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.01 -38.65 76.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.443 HD23 ' N ' ' A' ' 31' ' ' LEU . 4.4 mm? -60.06 -42.43 94.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' TYR . 1.8 tp -71.87 -51.0 24.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 48.1 t80 -38.63 -40.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 22.6 mt -78.83 -34.37 45.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LEU . 9.7 t80 -61.41 -60.34 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.2 -63.83 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.498 ' NH1' ' CZ ' ' A' ' 33' ' ' TYR . 21.8 mtt85 -55.88 -43.54 77.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 4.2 t80 -58.88 -26.72 64.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -85.59 -27.23 25.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.955 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -78.22 -23.56 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' CG1' ' HB1' ' A' ' 76' ' ' ALA . 3.2 m -88.53 -30.97 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -86.44 -50.09 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 t -96.23 -65.19 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.67 -122.41 5.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 46' ' ' CYS . 7.9 m120 -61.64 128.23 35.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ASN . 2.4 t -36.82 -50.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.1 p30 35.19 35.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' CYS . 8.0 p -135.07 147.78 64.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.81 49.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 49.9 tttt -62.12 139.2 96.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.5 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.73 167.83 23.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -66.23 152.5 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.25 -49.38 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.432 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.9 m-85 -58.37 -41.51 84.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -68.82 78.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -65.32 -61.27 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' PHE . 20.7 mt-10 -35.26 -54.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.32 -28.93 67.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' PHE . 27.0 ttpp -56.82 -60.98 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.727 0.299 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -46.36 -49.31 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 22.6 mtpt -50.11 -63.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.5 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.1 t90 -50.66 -42.02 56.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -58.53 -65.61 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.44 -45.91 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.518 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 15.2 t90 -75.52 -23.17 56.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.492 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 23.6 tptt -74.64 -41.57 60.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.86 -26.52 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' GLY . 19.0 mt -83.82 54.98 3.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . -36.94 -79.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -124.16 50.93 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -79.84 149.09 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -73.96 157.2 87.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.669 0.747 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -57.61 -44.8 85.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.83 -24.99 64.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.451 ' HB1' ' CG1' ' A' ' 41' ' ' VAL . . . -86.27 -26.1 25.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.56 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 12.5 mtt -79.85 -31.4 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -58.88 -51.97 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -72.98 -32.26 65.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.8 t80 -64.89 -25.34 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.46 HD13 ' N ' ' A' ' 12' ' ' PHE . 5.1 mt -90.56 -65.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.66 -58.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 p -40.41 -59.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.0 OUTLIER -49.43 -29.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.465 ' N ' HG23 ' A' ' 84' ' ' VAL . 29.7 mtpt -69.91 -34.65 73.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -34.42 71.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.48 -38.83 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.401 ' CB ' HD21 ' A' ' 22' ' ' LEU . 22.9 t70 -133.58 94.24 19.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.615 0.722 . . . . 0.0 110.821 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -13.01 33.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.637 2.225 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.07 36.62 3.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.517 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 23.4 t90 -109.4 127.45 54.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -130.16 86.57 53.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.517 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 54.1 Cg_endo -69.75 -39.62 6.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.629 2.22 . . . . 0.0 112.406 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -87.96 86.7 7.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 50.8 mm -110.9 127.8 26.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 111.169 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -37.02 9.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -47.51 167.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -141.61 109.57 5.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -129.92 96.6 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.59 136.63 2.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -118.42 127.62 53.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.715 0.293 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -127.9 102.95 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.94 -45.37 93.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.9 p -51.43 100.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.91 -71.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -175.04 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.368 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.4 m -44.83 130.08 7.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.4 m -153.33 177.57 10.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -134.91 165.23 25.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -148.4 146.98 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.93 111.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -72.48 121.4 19.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -65.53 165.38 12.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.41 53.6 31.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.95 -41.08 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -71.88 -57.73 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' ALA . 51.7 mm-40 -35.32 -47.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -65.08 -50.87 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 63.2 t80 -44.08 -24.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -83.76 -49.7 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -63.76 -50.01 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.41 -46.12 47.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.79 54.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.76 -25.48 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -80.17 -27.83 38.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 tt -49.57 -46.64 49.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -60.63 -22.79 64.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.11 -11.13 60.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' A' ' 88' ' ' ASP . 27.4 mt -112.02 17.64 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.4 mm -67.24 -36.19 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.1 -23.77 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -101.73 -14.3 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.7 138.59 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.1 p -89.63 149.59 22.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 5.7 ptp180 -39.53 -32.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 50.8 mt-10 -73.82 -51.04 17.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -53.23 -44.77 68.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.4 -39.45 47.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 61' ' ' LYS . 1.7 tp -75.57 -48.11 23.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 62.6 t80 -42.82 -35.7 1.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 20.0 mt -83.15 -31.48 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 5.4 t80 -62.41 -56.65 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.37 -62.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.562 ' NH1' ' CZ ' ' A' ' 33' ' ' TYR . 40.4 mtt85 -53.5 -47.46 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 2.8 t80 -60.99 -30.99 70.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 20.9 mmmt -78.51 -24.09 45.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -78.96 -44.99 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.566 HG22 ' CZ ' ' A' ' 12' ' ' PHE . 1.9 m -66.86 -24.61 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -90.28 -52.93 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.66 -63.9 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.32 -142.78 17.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -46.18 106.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.3 t -38.12 129.03 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -127.96 -32.89 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.0 p -51.4 151.43 5.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.52 48.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.695 2.264 . . . . 0.0 112.372 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -58.54 129.0 84.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.567 0.698 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 131.55 21.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.289 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.23 152.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -54.21 -45.25 72.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.486 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 4.7 m-85 -49.96 -47.37 52.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -73.82 77.66 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -66.54 -58.51 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -38.57 -56.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.6 -20.69 77.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' PHE . 26.8 ttpp -64.68 -55.16 21.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -52.84 -44.0 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.514 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 26.7 mtpt -61.99 -46.86 87.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.512 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 82.3 t90 -62.77 -43.9 97.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -59.0 -65.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.11 -53.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -67.26 -37.22 83.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.51 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 18.1 tptm -57.17 -51.1 70.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.09 -36.13 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.7 mt -76.73 50.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.59 -74.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -113.1 49.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.6 m -90.28 136.69 32.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -63.54 150.72 89.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -50.38 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 t -55.22 -46.0 75.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -57.97 -27.46 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -82.74 -25.86 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.553 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 8.2 mtt -78.71 -32.73 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -59.46 -54.22 49.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -66.64 -43.75 83.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.6 t80 -53.26 -36.63 61.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.2 mt -82.21 -65.69 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.63 -56.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.418 HG12 ' CD2' ' A' ' 34' ' ' LEU . 2.2 p -45.27 -56.21 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.3 m -50.65 -23.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.464 ' N ' HG22 ' A' ' 84' ' ' VAL . 39.4 mtpt -78.6 -38.6 39.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -29.88 70.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.4 mt -79.79 -40.72 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' CB ' HD21 ' A' ' 22' ' ' LEU . 21.2 t0 -134.57 94.28 17.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.703 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -7.21 20.48 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.69 45.31 2.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.572 ' CZ2' ' HG3' ' A' ' 93' ' ' PRO . 23.0 t90 -126.77 125.62 42.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -133.01 85.86 44.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.572 ' HG3' ' CZ2' ' A' ' 91' ' ' TRP . 53.6 Cg_endo -69.79 -20.87 34.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.24 . . . . 0.0 112.337 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -153.06 126.63 8.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -101.8 131.28 23.03 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -47.67 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.252 . . . . 0.0 112.382 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 31.7 tt0 -46.33 152.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.431 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 11.5 tptm -133.11 154.66 50.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -91.92 123.81 35.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.43 144.21 9.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.444 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' ALA . 3.5 tmmm? -79.73 132.04 36.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.17 88.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' LYS . . . -52.49 117.3 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.2 t -64.88 152.75 42.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.32 75.81 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 143.1 49.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.9 p -137.09 151.1 48.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m 50.45 42.28 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -68.72 94.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 m -85.94 -54.95 4.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.07 57.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -104.16 90.76 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 p -96.86 123.03 40.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 99.75 38.31 3.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -34.57 -48.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 110.943 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -46.58 -63.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ALA . 28.2 mm-40 -35.23 -52.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.04 -46.07 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 80.7 t80 -48.74 -37.5 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.11 -57.24 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -54.62 -57.35 11.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.63 -54.07 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.36 -46.98 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.68 -28.64 69.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -77.62 -29.82 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 34' ' ' LEU . 2.3 tt -45.7 -47.87 15.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -56.87 -30.03 63.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.33 -13.64 67.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 27.2 mt -107.04 17.71 22.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.14 -30.41 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -81.14 -18.8 45.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 29.7 m -104.46 -15.18 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.95 123.27 34.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -72.6 155.36 40.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -41.89 -31.47 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 35.8 mt-10 -75.9 -46.06 32.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -54.18 -45.89 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.1 -44.13 51.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.449 ' CD1' ' HG2' ' A' ' 61' ' ' LYS . 1.9 tp -73.05 -44.47 60.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.642 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 32.1 t80 -47.41 -52.56 16.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 38' ' ' TYR . 38.3 mt -62.49 -24.13 67.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.526 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.9 t80 -79.67 -45.84 18.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.8 -63.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.642 ' NH2' ' CD2' ' A' ' 33' ' ' TYR . 23.3 mtm-85 -64.56 -47.24 79.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -47.98 -40.67 23.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 13.6 mmmt -76.01 -28.44 57.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' CD ' ' O ' ' A' ' 68' ' ' LEU . 50.0 tp60 -73.4 -34.4 65.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.546 HG21 ' CZ ' ' A' ' 12' ' ' PHE . 10.1 m -78.04 -24.74 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -87.55 -49.94 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 t -95.18 -65.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.31 -141.53 13.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -48.15 123.27 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.7 t -58.17 115.55 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -114.82 -34.82 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.8 p -44.41 148.3 0.89 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 143.39 50.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 76.9 tttt -56.86 136.42 79.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.515 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.74 173.09 11.46 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 t -79.43 141.63 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.34 -48.33 55.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.53 -35.34 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -75.39 78.31 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -63.91 -56.52 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' PHE . 39.9 mt-10 -35.14 -57.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.58 -42.94 53.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 19.4 ttpt -40.84 -56.62 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 3.4 pt20 -55.26 -43.85 75.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.5 mtpt -58.54 -60.18 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.515 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.8 t90 -55.77 -38.61 70.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ALA . 11.4 mt-10 -62.72 -71.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.87 -56.38 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -63.14 -44.65 94.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 62' ' ' TRP . 8.7 tptp -49.46 -47.07 48.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.29 -26.38 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 40' ' ' GLN . 18.6 mt -89.77 50.84 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.56 -47.38 27.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -108.16 35.29 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.0 m -99.88 144.41 28.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 m -83.03 161.42 57.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.702 0.763 . . . . 0.0 110.788 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 p -60.98 -44.22 97.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.78 -15.73 43.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' HB1' ' CG1' ' A' ' 41' ' ' VAL . . . -93.23 -27.88 16.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.544 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.4 mtt -76.28 -32.22 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -57.91 -46.34 85.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -76.29 -38.0 56.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 9.2 t80 -59.91 -24.86 64.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.464 HD11 ' N ' ' A' ' 12' ' ' PHE . 5.2 mt -91.63 -65.39 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -33.01 -55.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 p -44.6 -58.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.8 m -49.39 -22.05 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.452 ' N ' HG22 ' A' ' 84' ' ' VAL . 20.6 mtpp -79.65 -36.86 37.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.98 -28.23 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.422 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 3.1 mt -83.17 -37.07 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -134.62 93.48 18.3 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.592 0.71 . . . . 0.0 110.873 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -8.58 23.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.0 -10.34 69.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.566 ' CH2' ' HG3' ' A' ' 93' ' ' PRO . 30.5 t90 -68.77 125.44 26.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 41.5 p30 -134.96 85.39 34.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.566 ' HG3' ' CH2' ' A' ' 91' ' ' TRP . 54.1 Cg_endo -69.75 -41.87 3.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -116.33 116.13 27.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.5 mp -105.74 129.82 24.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.729 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -42.34 3.52 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 98' ' ' LYS . 9.5 tp10 -53.43 151.35 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.475 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 21.4 ttmt -135.78 147.71 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -51.99 170.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.31 72.88 0.68 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.08 42.16 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -123.57 136.01 54.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -172.76 140.58 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 77.4 p -57.42 -51.28 70.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.38 156.24 32.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 107' ' ' SER . 54.1 Cg_endo -69.75 2.61 3.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' PRO . 7.7 t -35.69 -52.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 t 67.98 47.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.516 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 p -85.02 83.92 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 p -88.69 159.98 17.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.17 41.12 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.521 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 m -65.41 142.42 58.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m -114.9 102.86 10.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' O ' ' CG ' ' A' ' 10' ' ' GLU . . . -97.84 123.87 7.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.455 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.75 -51.06 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.68 -52.13 24.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 3.6 pt-20 -42.74 -44.05 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.76 -51.69 31.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.553 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 86.9 t80 -42.97 -35.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.51 -54.24 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -59.11 -57.13 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.85 -47.75 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.98 -44.77 51.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.12 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 21' ' ' GLY . 3.5 t60 -75.67 -35.27 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.06 -46.27 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -60.73 -32.45 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -84.81 -8.08 83.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 31.8 mt -112.81 12.38 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.83 -29.81 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -77.42 -18.23 57.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 35.9 m -107.4 -12.01 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.31 136.5 33.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 t -86.07 151.78 23.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -44.47 -30.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -79.69 -38.55 33.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -63.89 -42.72 97.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.19 -39.57 66.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.94 -44.23 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 56.7 t80 -47.54 -38.9 15.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 13.3 mt -80.86 -20.93 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.549 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -72.63 -44.8 61.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' HB1' ' CB ' ' A' ' 64' ' ' ALA . . . -60.2 -63.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.583 ' NH1' ' CZ ' ' A' ' 33' ' ' TYR . 51.0 mtt85 -54.88 -47.06 74.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 9.8 t80 -58.05 -40.75 81.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.53 -18.88 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -82.32 -47.69 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.553 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 1.9 m -65.84 -27.2 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.4 ' N ' HG21 ' A' ' 41' ' ' VAL . 45.6 mmtt -86.83 -51.03 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.76 -64.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.0 -131.59 9.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.25 121.87 12.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.7 t -45.23 117.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.18 -29.4 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.7 p -60.5 146.97 84.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.601 0.715 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.92 55.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -55.51 129.36 69.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.51 0.672 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.2 Cg_endo -69.75 167.91 23.05 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -70.51 155.69 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -64.83 -43.57 92.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.576 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.8 m-85 -68.11 -26.02 65.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -80.07 58.46 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -52.53 -55.52 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -40.59 -46.82 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.74 -14.64 60.91 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.457 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 22.3 ttpp -70.98 -64.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -43.52 -52.06 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.549 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.2 mtpt -50.75 -54.92 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.504 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.3 t90 -57.96 -39.21 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LYS . 19.4 mt-10 -62.26 -68.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' CB ' ' HB1' ' A' ' 36' ' ' ALA . . . -36.83 -51.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.66 -33.39 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.5 tptt -62.44 -45.93 90.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.44 -22.6 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.6 mt -89.32 52.41 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.92 -73.32 0.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -109.38 51.12 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 m -89.82 131.5 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -67.41 155.52 90.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.676 0.751 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.355 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 p -56.21 -46.08 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -61.27 -20.26 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.456 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . . . -91.52 -21.48 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.533 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 12.6 mtm -87.08 -28.3 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.37 -49.9 73.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.39 -31.88 58.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 11.2 t80 -63.03 -30.86 71.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 82' ' ' ALA . 7.8 mt -85.33 -64.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.64 -57.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 p -43.34 -59.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 85' ' ' LYS . 1.2 m -49.94 -24.0 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.46 ' N ' HG21 ' A' ' 84' ' ' VAL . 2.3 mtpm? -76.42 -44.13 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -30.45 68.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.1 mt -77.68 -43.09 32.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -131.74 94.76 24.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.06 36.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.77 31.05 4.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 16.9 t90 -98.93 119.8 38.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.414 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . 0.7 OUTLIER -123.69 84.56 53.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.872 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -47.89 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -92.33 115.79 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 92' ' ' ASN . 43.4 mm -132.18 124.15 19.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -38.94 7.14 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.733 2.288 . . . . 0.0 112.358 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.419 ' OE1' ' C ' ' A' ' 97' ' ' GLU . 1.1 tm-20 -53.49 154.49 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -119.06 146.69 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.78 134.71 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.15 -123.62 7.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.512 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -172.35 113.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.737 0.303 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -99.17 166.7 11.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -83.83 42.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -39.68 -69.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 152.67 -157.22 27.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -2.56 10.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.6 p -93.63 52.25 1.68 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.8 t -125.17 -60.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -113.93 42.96 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.816 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -147.25 167.78 23.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.94 117.11 0.66 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -80.22 -56.0 4.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -112.42 90.03 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.96 57.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -55.19 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.334 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -51.1 -53.82 30.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 9' ' ' ALA . 6.5 pt-20 -36.31 -39.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.05 -44.39 48.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 74.7 t80 -50.68 -29.81 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -75.68 -50.09 16.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -61.79 -57.57 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.12 -51.69 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.23 -45.63 11.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.64 75.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -71.4 -33.62 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -43.53 -54.11 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.29 -31.64 33.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.14 -12.87 72.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 88' ' ' ASP . 33.6 mt -109.24 16.65 22.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mm -65.87 -32.14 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -74.9 -17.79 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -107.57 -12.85 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.75 122.48 37.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ARG . 35.6 m -73.32 152.29 40.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' SER . 10.0 ptm180 -35.13 -52.0 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.2 -48.18 82.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -50.04 -45.02 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 31' ' ' LEU . 4.3 mm? -52.74 -52.85 54.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tp -63.31 -42.82 99.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -45.78 -38.39 7.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 15.2 mt -83.34 -26.33 30.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.7 t80 -67.59 -49.01 65.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.23 -62.74 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -54.27 -54.2 43.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -48.75 -37.03 17.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 19.0 mmmt -77.34 -21.3 53.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -83.36 -34.61 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 HG21 ' CZ ' ' A' ' 12' ' ' PHE . 3.1 m -78.25 -25.23 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -90.91 -43.93 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.0 -66.52 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.4 -137.36 12.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -54.03 108.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 t -36.33 106.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.7 p30 -112.39 34.9 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.9 p -123.66 149.08 57.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.562 0.696 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.91 66.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 23.3 ttmt -58.53 137.62 85.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.0 Cg_endo -69.71 -177.49 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -85.34 161.16 19.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -68.02 -38.65 82.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -72.85 -38.16 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.11 79.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -66.57 -56.2 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -42.38 -46.08 4.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.94 -16.95 71.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' PHE . 23.9 ttpp -70.63 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.304 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.0 -45.37 61.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -56.42 -62.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.504 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 92.4 t90 -50.77 -41.46 56.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' LYS . 15.1 mt-10 -61.45 -71.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -36.04 -51.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.3 t90 -71.35 -34.05 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' GLU . 45.6 tptt -60.17 -40.05 88.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.38 -24.43 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.5 mt -90.34 50.94 1.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.37 -49.83 11.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.49 21.93 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -80.73 178.57 8.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -122.8 157.21 60.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -50.53 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -62.76 -32.64 73.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -75.81 -19.81 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.1 -22.39 27.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.3 mtt -80.12 -45.73 17.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -47.37 -48.07 25.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -76.12 -45.91 31.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.8 t80 -52.21 -32.62 37.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.467 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.3 mt -84.38 -64.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.49 -56.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.42 HG12 ' CD2' ' A' ' 34' ' ' LEU . 2.1 p -42.97 -56.82 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.1 m -51.26 -26.88 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.465 ' N ' HG23 ' A' ' 84' ' ' VAL . 3.9 mtpm? -72.46 -34.43 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -32.7 68.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.5 mt -73.98 -40.28 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.468 ' CB ' HD21 ' A' ' 22' ' ' LEU . 8.5 t0 -138.52 104.96 7.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.537 0.684 . . . . 0.0 110.894 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.72 -34.5 14.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.222 . . . . 0.0 112.397 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.41 49.5 2.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -111.55 123.7 50.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.507 ' ND2' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -126.98 94.41 39.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -28.75 24.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -134.19 125.37 27.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.8 mp -113.82 134.14 22.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.669 0.747 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -45.04 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -49.46 171.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -128.55 129.43 45.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -141.37 120.99 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.64 -106.24 0.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -48.79 124.99 9.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -109.48 170.35 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.91 160.79 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.9 p -109.53 -42.58 4.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.46 145.85 11.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 117.52 5.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 p -41.54 -56.64 2.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.4 t -161.77 129.84 4.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -90.32 103.65 16.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -116.28 103.53 10.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.19 62.38 0.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 p -89.57 121.71 32.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -157.23 144.73 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.47 54.73 0.4 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.9 -56.18 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.46 -52.56 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -38.98 -36.48 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -77.39 -44.8 28.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.0 t80 -47.71 -34.37 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.25 -53.03 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' CD ' ' O ' ' A' ' 93' ' ' PRO . 19.0 mtmm -58.08 -54.03 51.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.26 32.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.077 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.91 -46.15 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -24.23 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -81.67 -32.21 31.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.0 -46.09 16.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -59.44 -33.12 70.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.23 -13.0 72.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.43 HD22 ' CB ' ' A' ' 88' ' ' ASP . 52.9 mt -106.09 14.68 27.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.03 -32.11 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -75.7 -20.99 58.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.78 -12.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.11 135.25 34.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLU . 78.7 p -85.53 145.71 27.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -37.5 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 22.5 mt-10 -75.5 -48.83 20.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' SER . 56.6 mt-30 -56.82 -34.12 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.96 -37.59 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 61' ' ' LYS . 2.9 tp -77.06 -39.38 50.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -50.72 -37.3 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 26.1 mt -82.96 -22.45 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.548 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -68.42 -44.98 73.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HB2' ' C ' ' A' ' 64' ' ' ALA . . . -59.27 -64.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -54.81 -44.38 73.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 4.6 t80 -62.32 -30.46 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 21.2 mmmt -82.46 -15.65 51.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -89.92 -38.19 13.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.527 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 2.9 m -73.66 -22.66 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -94.37 -50.68 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -91.24 -69.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.22 -149.06 16.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -42.37 123.51 2.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 t -60.51 113.79 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -111.89 -36.25 5.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.2 p -46.64 148.83 1.61 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.577 0.703 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 154.63 67.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -67.55 136.6 93.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.2 Cg_endo -69.73 169.48 18.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.398 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 t -71.58 150.81 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.68 -41.6 95.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.442 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 6.5 m-85 -66.25 -37.02 84.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -74.06 76.5 1.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -63.29 -55.85 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -38.52 -57.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.43 -15.61 80.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' PHE . 25.9 ttpt -73.64 -46.17 48.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.725 0.298 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -62.34 -44.71 95.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.506 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.4 mtpt -61.58 -54.54 41.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.518 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.6 t90 -58.9 -40.3 84.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' LYS . 13.3 mt-10 -61.18 -70.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.412 ' C ' ' HB2' ' A' ' 36' ' ' ALA . . . -37.0 -48.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.437 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.5 t90 -70.34 -34.49 72.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' GLU . 30.6 tptt -60.92 -41.97 97.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.67 -28.73 22.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.41 51.17 2.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.93 -76.39 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.82 51.79 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -87.05 173.51 9.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -111.98 155.53 43.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -50.82 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -41.91 98.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -66.82 -19.89 65.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.76 -20.73 24.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 25.1 mtt -83.62 -36.06 24.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -55.01 -50.89 67.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.51 -43.79 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 1.5 t80 -56.89 -26.05 58.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.2 mt -88.81 -64.5 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.78 -56.26 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 p -44.27 -57.57 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.3 m -50.68 -23.78 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 84' ' ' VAL . 41.1 mtpt -76.25 -33.25 59.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.71 -32.14 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.412 HD22 ' CD ' ' A' ' 30' ' ' GLN . 8.7 mt -73.3 -41.1 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.43 ' CB ' HD22 ' A' ' 22' ' ' LEU . 8.8 t70 -137.28 104.98 8.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.5 Cg_endo -69.76 -28.6 25.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.55 52.65 4.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -110.39 116.21 31.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -113.14 86.41 9.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 54.1 Cg_endo -69.71 -33.55 16.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.268 . . . . 0.0 112.342 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -94.65 85.26 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.0 mt -110.56 132.47 21.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -50.0 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -45.14 167.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -150.23 136.0 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -47.52 -50.89 22.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.89 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.36 154.04 6.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 150.45 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.06 153.21 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 105' ' ' GLY . . . -82.87 42.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 t -59.68 83.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 103' ' ' ALA . . . 116.62 143.78 7.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -8.11 22.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 0.0 112.325 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.4 t -42.95 124.23 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.6 t -113.78 128.84 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -60.94 170.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 m -95.08 88.18 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.9 163.17 35.18 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -70.9 158.29 36.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -116.92 171.02 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' HA3' ' CD ' ' A' ' 10' ' ' GLU . . . 171.35 132.89 1.54 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -61.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -41.17 -56.25 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 5.4 pt-20 -36.22 -52.48 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 4.5 mm? -62.49 -53.05 60.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 78.0 t80 -44.03 -34.78 1.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -70.83 -45.07 65.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -69.7 -55.1 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.82 -47.53 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.62 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.04 77.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.71 -31.69 72.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.447 HD12 ' CD1' ' A' ' 34' ' ' LEU . 2.3 tt -44.84 -53.57 7.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -53.17 -27.99 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.57 -12.85 66.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 32.9 mt -109.79 16.6 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.74 -35.78 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -71.66 -17.14 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 21.3 m -108.4 -15.17 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.18 113.82 22.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.6 m -65.33 152.98 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -40.33 -34.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -76.21 -44.55 37.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -54.84 -39.83 68.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.67 -41.97 74.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.442 ' CD1' ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -74.87 -48.03 27.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.628 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 33.9 t80 -42.41 -54.31 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 44.6 mt -59.79 -33.63 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 8.3 t80 -68.62 -53.31 23.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.58 -69.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.628 ' NH2' ' CD2' ' A' ' 33' ' ' TYR . 23.7 mtm-85 -59.09 -46.13 89.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -50.7 -31.44 16.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 20.9 mmmt -84.12 -28.69 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -71.36 -34.77 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.498 HG22 ' CZ ' ' A' ' 12' ' ' PHE . 1.9 m -73.74 -26.22 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -87.98 -51.25 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.0 t -97.35 -64.97 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.51 -118.29 4.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' CYS . 9.2 m120 -64.36 135.24 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' ASN . 21.1 t -35.94 105.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 45' ' ' ASN . 3.3 m120 -107.08 23.73 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.0 p -136.65 153.85 76.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 111.164 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 159.45 53.33 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.488 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 60.7 tttt -72.16 129.51 87.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.74 148.18 64.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -61.22 170.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -76.22 -36.94 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.98 -32.93 74.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -85.06 79.29 9.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -65.34 -58.51 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' PHE . 33.8 mt-10 -35.01 -59.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.23 -30.91 73.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 32.2 ttpt -51.9 -57.15 10.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 2.9 pt20 -54.46 -43.6 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 18.0 mtpt -55.89 -55.27 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.514 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 70.5 t90 -61.07 -47.21 87.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.92 -65.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.35 -52.65 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.518 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 12.7 t90 -71.93 -26.01 62.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.489 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 30.1 tptt -68.9 -41.63 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.3 -19.79 15.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.94 51.44 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.88 -40.13 52.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.75 38.03 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -93.23 -175.07 3.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.6 m -130.11 157.57 76.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.717 0.77 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -36.72 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -73.0 -20.18 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.61 -26.04 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.568 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 13.1 mtt -77.43 -32.38 54.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -58.81 -49.42 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -72.51 -35.06 68.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 14.1 t80 -64.74 -27.76 69.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 82' ' ' ALA . 9.2 mt -90.0 -66.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.461 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -32.81 -55.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.401 ' CG1' HD23 ' A' ' 34' ' ' LEU . 2.5 p -44.54 -58.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.2 m -49.58 -25.69 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.464 ' N ' HG23 ' A' ' 84' ' ' VAL . 46.2 mtpt -81.03 -31.45 34.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.483 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -68.51 -26.59 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.97 -46.14 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -121.68 91.13 48.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.815 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.77 9.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.44 45.76 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -113.09 111.88 22.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -111.49 89.34 10.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.639 0.733 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.33 31.01 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -114.01 87.58 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.1 mm -87.11 131.84 43.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 111.099 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -45.95 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -43.94 166.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -118.44 121.46 40.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -144.86 148.48 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.63 73.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.95 167.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 103' ' ' ALA . 2.8 tp10 -99.79 121.19 40.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -37.23 -43.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.2 p -124.9 -52.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.91 -89.76 0.48 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -1.46 8.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t 69.83 53.56 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.2 t -75.8 -40.86 54.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 63.61 40.58 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -129.33 138.87 51.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.54 -115.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -108.92 109.58 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.884 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -131.4 105.62 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.26 -69.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -40.02 89.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -67.09 -52.95 35.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.8 mm-40 -38.4 -50.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -61.35 -37.12 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 53.5 t80 -61.97 -30.05 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.77 -47.25 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -71.51 -56.51 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.13 -39.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.05 -45.19 71.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.85 -25.63 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.438 ' CD2' HD13 ' A' ' 22' ' ' LEU . 1.9 t60 -78.84 -33.37 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.18 -45.65 16.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -62.03 -27.91 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.71 -14.32 63.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 88' ' ' ASP . 23.4 mt -108.15 17.94 21.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.7 mm -67.65 -37.67 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -71.21 -20.34 62.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.2 m -103.5 -13.93 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.45 142.14 27.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' GLN . 73.3 m -91.37 145.08 24.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' SER . 11.2 ptp180 -35.37 -40.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mp0 -64.74 -46.77 80.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' SER . 76.1 mt-30 -60.33 -42.24 95.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.55 -34.72 59.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.414 ' CD1' ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -81.29 -43.51 19.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -47.03 -34.75 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 15.1 mt -82.79 -24.29 33.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -69.14 -42.35 76.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.72 -62.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.465 ' NE ' ' HB2' ' A' ' 79' ' ' GLU . 16.5 mtp85 -50.27 -49.82 52.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 4.5 t80 -54.91 -40.28 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -76.02 -15.35 60.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -88.51 -35.24 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.556 HG21 ' CZ ' ' A' ' 12' ' ' PHE . 2.0 m -76.98 -25.11 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -90.48 -52.13 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.25 -68.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.56 -132.06 9.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -56.33 118.33 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.0 t -38.49 125.37 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -130.53 33.67 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.1 p -130.51 150.29 75.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.529 0.68 . . . . 0.0 111.169 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 150.14 67.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 54.5 tttt -62.76 131.03 94.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.532 0.682 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.519 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.77 142.41 47.81 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.722 2.281 . . . . 0.0 112.344 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -50.28 149.53 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -56.18 -43.29 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.497 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 m-85 -57.07 -47.01 82.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.42 78.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -67.46 -57.14 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.1 mt-10 -37.82 -52.77 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.97 -19.7 77.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' PHE . 32.6 ttpt -69.2 -55.5 10.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.736 0.303 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -53.03 -47.39 68.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.539 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.6 mtpt -61.96 -43.86 97.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.519 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 85.9 t90 -62.31 -46.54 88.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -58.53 -62.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.06 -59.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.055 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -63.59 -40.75 97.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -53.08 -51.85 60.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.34 -28.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.2 mt -87.59 50.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.36 -54.59 28.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -103.86 38.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -82.8 -178.85 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m -124.99 152.98 71.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -66.21 -36.73 83.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -72.33 -21.9 61.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -80.54 -28.06 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 13.8 mtt -78.91 -30.3 44.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.09 -54.19 47.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' HB2' ' NE ' ' A' ' 37' ' ' ARG . 38.5 mm-40 -75.53 -39.34 58.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 17.8 t80 -53.77 -37.76 63.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 82' ' ' ALA . 8.9 mt -82.59 -61.54 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.92 -56.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.438 HG13 ' CD2' ' A' ' 34' ' ' LEU . 2.5 p -44.27 -57.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.2 m -49.82 -25.23 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.462 ' N ' HG22 ' A' ' 84' ' ' VAL . 4.6 mtpm? -81.2 -33.99 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.489 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -65.65 -26.5 67.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.73 -42.57 13.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.47 ' CB ' HD21 ' A' ' 22' ' ' LEU . 11.6 t70 -132.19 92.33 29.25 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.833 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -15.27 36.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.46 26.09 5.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 25.5 t90 -104.25 125.51 50.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -132.75 93.6 23.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -43.6 2.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.315 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -92.04 102.81 15.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 43.2 mm -134.2 129.32 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -43.21 2.79 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -52.6 156.27 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -125.31 116.68 22.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -152.17 106.47 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.89 -18.26 2.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -99.09 52.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.731 0.3 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -109.82 80.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.15 99.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.3 m -164.22 142.07 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.95 -108.43 0.69 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.31 14.69 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.8 t -96.65 103.65 15.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.8 m -55.46 167.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -69.03 133.6 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.368 . . . . 0.0 110.819 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -121.1 171.27 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.57 156.82 27.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -133.76 115.37 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -59.2 128.8 38.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.66 82.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' CD1' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -86.65 -34.55 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -76.27 -51.67 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 3.8 pt-20 -35.38 -38.92 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 3.7 mm? -75.53 -44.09 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.532 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 88.7 t80 -46.34 -38.99 9.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.07 -56.95 6.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -51.3 -53.17 38.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.77 -51.92 35.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.91 -47.2 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.48 69.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -76.4 -31.2 57.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.405 ' C ' HD22 ' A' ' 19' ' ' LEU . 1.1 tt -46.41 -48.63 18.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -55.14 -29.22 57.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.7 -14.93 62.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.405 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 23.6 mt -106.44 15.27 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.95 -32.55 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.41 -21.31 56.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 23.4 m -102.66 -14.42 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.27 128.15 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' GLN . 62.7 m -81.33 150.07 28.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -37.78 -40.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 49.7 mt-10 -68.74 -44.39 73.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' SER . 17.0 mm-40 -58.9 -42.36 89.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -50.83 -43.74 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.1 tp -69.45 -54.32 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.638 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 29.9 t80 -35.63 -56.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 26.2 mt -58.41 -37.04 74.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.2 t80 -66.42 -47.09 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.63 -66.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.638 ' NH2' ' CD2' ' A' ' 33' ' ' TYR . 20.3 mtm-85 -63.14 -52.0 64.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.51 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 2.9 t80 -44.92 -41.58 7.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 17.0 mmmt -76.92 -24.89 52.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 37' ' ' ARG . 33.1 tp60 -76.33 -36.74 58.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 76' ' ' ALA . 3.1 m -77.01 -22.95 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -90.33 -43.54 10.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 t -102.1 -66.91 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.71 -122.11 4.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -61.1 133.34 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.6 t -77.05 53.68 0.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -53.9 -29.25 41.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 p -44.83 149.94 0.77 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 147.95 64.05 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.515 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 72.7 tttt -64.95 135.14 96.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.76 155.16 66.67 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.316 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -69.42 151.75 45.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -54.22 -39.47 66.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -57.21 -61.49 2.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.79 86.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -69.77 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.5 mt-10 -35.17 -45.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.5 -36.59 43.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 19.5 ttpp -47.87 -65.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -50.09 -44.87 52.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -54.58 -49.97 69.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.521 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 79.9 t90 -63.21 -46.06 88.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.13 -66.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -38.4 -53.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.04 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.444 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 14.0 t90 -70.3 -32.86 70.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -60.88 -51.04 70.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.26 -35.88 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.4 mt -83.47 53.23 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.34 -64.98 2.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.63 20.19 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.5 p -71.5 -176.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -123.02 159.64 53.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.648 0.737 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.99 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.284 . . . . 0.0 112.334 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 t -62.17 -48.13 81.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -58.97 -15.67 14.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.463 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . . . -92.34 -29.26 16.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.532 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 16.2 mtt -76.69 -26.72 55.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -63.25 -45.46 91.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -77.84 -36.04 50.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 24.8 t80 -60.0 -27.35 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 11' ' ' LEU . 5.8 mt -89.7 -65.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.67 -56.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 p -43.58 -58.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.464 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.2 m -50.45 -24.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.464 ' N ' HG23 ' A' ' 84' ' ' VAL . 3.2 mtpm? -75.51 -39.67 58.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -30.86 71.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 5.0 mt -80.22 -34.27 37.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -133.56 93.44 21.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.87 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -101.96 48.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.447 ' CZ2' ' HG3' ' A' ' 93' ' ' PRO . 22.4 t90 -120.37 127.09 51.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -132.92 84.56 48.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 91' ' ' TRP . 54.2 Cg_endo -69.75 -1.94 9.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -170.18 117.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.99 130.3 30.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -46.64 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.333 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -46.02 155.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -116.64 161.5 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -90.67 127.31 36.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -52.73 -56.4 18.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -64.51 88.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.692 0.282 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -155.64 108.58 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.09 120.85 0.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.8 p -126.26 87.17 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.42 127.02 0.12 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 154.81 67.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.2 m -52.9 103.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.8 p -121.57 127.53 51.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -89.04 -47.07 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 t -163.86 161.59 23.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.26 -103.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -142.8 113.73 7.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' GLY . 8.7 t -120.36 161.95 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.65 76.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.02 -37.74 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -66.79 -56.27 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -38.07 -45.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.427 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 1.5 mm? -68.06 -37.87 81.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.553 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 83.1 t80 -57.67 -31.84 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.9 -50.09 16.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -57.53 -53.93 52.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.56 -47.65 49.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.59 -47.57 19.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.18 68.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -78.08 -31.38 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.76 -50.45 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.13 -24.42 54.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.92 -12.69 60.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 23.7 mt -109.71 14.18 23.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -60.68 -33.59 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -71.34 -23.22 61.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 30.6 m -103.98 -13.42 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.93 112.01 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -68.64 155.1 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.08 -37.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.78 -50.41 36.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -50.76 -41.35 56.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.11 -46.15 72.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 35' ' ' TYR . 1.7 tp -69.21 -53.39 20.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.647 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 18.8 t80 -36.91 -56.05 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 56.9 mt -61.51 -32.7 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.499 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 5.2 t80 -69.41 -43.75 72.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.23 -64.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.647 ' NH2' ' CD2' ' A' ' 33' ' ' TYR . 28.5 mtm-85 -64.33 -43.05 95.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 2.9 t80 -53.0 -36.1 60.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 22.0 mmmt -80.17 -27.15 39.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -73.64 -29.3 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.479 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 1.9 m -85.15 -28.5 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -86.82 -41.26 14.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.2 t -98.97 -65.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.62 -143.67 17.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ASN . 28.0 t-20 -50.05 116.85 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' ASN . 5.8 t -37.34 95.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASN . 5.3 p-10 -107.86 26.8 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 p -117.7 153.7 50.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 148.93 66.48 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 26.9 ttmt -70.93 138.81 85.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.512 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.72 162.12 43.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -66.78 171.01 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -75.76 -36.99 59.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.423 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 15.9 m-85 -70.75 -41.04 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.84 80.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -68.38 -57.33 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.8 mt-10 -36.67 -52.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.31 -26.45 65.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' PHE . 22.8 ttpp -55.23 -59.25 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.35 -49.23 61.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.499 ' HE2' ' CZ ' ' A' ' 35' ' ' TYR . 19.8 mtpt -50.53 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.512 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 88.0 t90 -51.38 -37.9 50.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' ALA . 20.6 mt-10 -64.09 -71.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.26 -53.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -66.9 -43.97 82.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -50.34 -48.24 55.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.66 -27.44 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.72 49.73 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.83 -64.84 3.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -102.48 45.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -98.76 130.91 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -67.04 157.9 83.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.5 t -57.93 -49.22 77.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -55.38 -24.52 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.463 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . . . -83.59 -31.09 26.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.553 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 15.0 mtt -75.22 -29.24 60.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.2 -49.61 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -74.71 -33.78 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 8.1 t80 -63.02 -29.72 71.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.8 mt -87.49 -66.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.81 -56.83 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.0 p -43.54 -59.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.3 m -49.49 -23.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.47 ' N ' HG22 ' A' ' 84' ' ' VAL . 3.1 mtpm? -76.85 -40.0 49.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.17 -40.29 38.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . 18.9 t0 -134.54 94.55 17.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -13.5 34.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.388 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.44 41.31 3.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -121.19 126.38 49.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -133.8 86.41 38.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -41.64 4.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -116.35 107.4 14.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.464 ' CG2' ' HG2' ' A' ' 97' ' ' GLU . 2.3 mp -96.93 126.33 43.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.673 0.749 . . . . 0.0 111.088 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -49.39 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.464 ' HG2' ' CG2' ' A' ' 95' ' ' ILE . 3.4 pt-20 -47.96 171.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -92.02 43.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -172.79 163.2 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.77 44.16 3.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -139.54 -176.74 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 103' ' ' ALA . 2.7 tt0 -77.41 132.21 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -37.6 114.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.078 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.9 m -163.19 163.05 25.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.24 83.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.422 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 170.54 16.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.0 p -99.93 115.6 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.7 t -165.32 107.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 m -156.88 173.56 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 m -41.61 115.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.52 -135.7 7.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 6' ' ' SER . 84.6 p -57.48 -50.02 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 5' ' ' SER . 42.9 t -35.45 103.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.468 ' N ' ' OE2' ' A' ' 10' ' ' GLU . . . -63.1 140.81 45.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.35 -36.73 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -69.7 -52.34 26.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' OE2' ' N ' ' A' ' 7' ' ' GLY . 3.4 pt-20 -35.61 -41.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -75.57 -45.78 35.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.484 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 79.8 t80 -46.23 -28.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -76.27 -53.76 7.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -59.28 -48.68 80.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.29 -50.96 36.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.74 -39.86 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.44 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -76.29 -31.04 58.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.94 -48.28 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -55.23 -31.93 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.4 -11.29 72.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 88' ' ' ASP . 50.9 mt -106.3 13.86 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.751 0.31 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 40.6 mm -65.97 -35.71 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.66 -18.93 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -110.76 -10.32 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.39 122.94 37.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ARG . 26.4 m -78.01 154.22 31.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 27' ' ' SER . 10.1 ptt85 -36.84 -51.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -56.37 -45.13 80.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -55.49 -51.81 65.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -48.32 -42.84 32.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 35' ' ' TYR . 1.6 tp -71.23 -52.68 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -40.15 -40.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 17.8 mt -77.15 -31.62 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.532 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.8 t80 -62.91 -58.66 6.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CD1' ' A' ' 35' ' ' TYR . . . -44.76 -68.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' NH2' ' OE2' ' A' ' 79' ' ' GLU . 15.9 mtt-85 -46.39 -50.74 16.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -50.22 -48.13 54.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -67.91 -16.85 64.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.401 ' NE2' ' HG ' ' A' ' 71' ' ' SER . 32.7 tp60 -84.7 -44.47 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.484 HG21 ' CZ ' ' A' ' 12' ' ' PHE . 3.4 m -69.89 -26.74 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -86.22 -52.88 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 t -90.01 -66.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.39 -141.88 13.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -55.3 115.29 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.6 t -39.35 126.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -126.15 -34.45 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.3 p -48.64 149.18 3.12 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.609 0.718 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 147.54 63.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.53 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 51.5 tttt -60.45 131.38 90.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.76 156.81 62.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.645 2.23 . . . . 0.0 112.358 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -61.47 164.86 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -74.35 -44.01 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -67.7 -13.62 62.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.39 72.15 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -65.38 -54.74 24.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' PHE . 39.9 mt-10 -35.71 -44.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.79 -20.28 37.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' PHE . 26.9 ttpt -63.64 -67.9 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -39.36 -48.6 1.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.532 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 25.2 mtpt -53.88 -57.89 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CH2' ' HD3' ' A' ' 66' ' ' LYS . 63.1 t90 -49.94 -61.34 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' LYS . 29.8 mt-10 -42.13 -65.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.22 -49.29 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.495 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 16.5 t90 -74.84 -21.31 59.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.55 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 14.4 tptm -74.75 -48.06 27.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.3 -27.3 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.56 50.3 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.66 -48.92 46.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -109.02 37.45 2.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.32 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.401 ' HG ' ' NE2' ' A' ' 40' ' ' GLN . 3.7 p -93.08 -178.62 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -126.68 158.83 66.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -50.61 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.73 -32.78 74.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -73.54 -21.1 60.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.415 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -84.12 -26.7 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 12.4 mtt -75.95 -34.7 59.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.01 -58.86 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' OE2' ' NH2' ' A' ' 37' ' ' ARG . 12.7 mt-10 -67.28 -33.11 74.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.527 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 6.2 t80 -63.09 -30.59 71.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.459 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.2 mt -87.28 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.7 -55.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 ' CG1' HD23 ' A' ' 34' ' ' LEU . 2.2 p -44.95 -58.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.7 m -49.56 -22.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.072 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 84' ' ' VAL . 3.2 mtpm? -79.3 -41.44 28.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -28.68 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.1 -41.53 22.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.461 ' CB ' HD23 ' A' ' 22' ' ' LEU . 31.5 t70 -131.53 93.44 28.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -7.07 20.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.13 35.92 4.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -105.66 116.95 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -119.44 84.37 29.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -25.81 27.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -108.11 112.93 25.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.5 mm -125.24 125.36 25.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -50.42 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -44.04 154.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -81.68 0.7 37.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -175.98 164.86 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.95 40.39 1.02 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -132.71 142.21 48.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -87.2 84.85 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.32 92.81 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 t 49.58 39.3 16.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -65.55 175.35 16.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -173.39 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.1 m -107.51 -47.36 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 m -60.55 146.27 45.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 3' ' ' SER . 74.4 p -50.35 166.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.849 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 2' ' ' SER . 28.0 m -36.51 121.35 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.61 68.94 0.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -122.43 160.88 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 t -94.39 99.13 11.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.34 112.42 3.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.02 -38.48 12.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.11 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 3.0 pt-20 -42.28 -37.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.3 -42.04 23.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.542 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 72.0 t80 -49.59 -41.16 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.74 -55.33 20.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' NZ ' ' O ' ' A' ' 10' ' ' GLU . 21.2 mtmm -55.55 -57.24 12.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.2 -49.04 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.6 -46.71 19.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.31 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.45 -32.26 68.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tt -45.79 -52.06 11.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -54.49 -29.43 50.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.54 -12.89 66.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.435 HD22 ' CB ' ' A' ' 88' ' ' ASP . 27.7 mt -107.89 16.85 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.8 mm -68.61 -33.86 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.16 -16.89 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -107.69 -19.41 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.83 149.02 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ARG . 26.6 m -103.88 154.28 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' SER . 13.9 ptp180 -34.93 -43.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.26 -63.63 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -43.72 -50.13 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.55 -34.08 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -84.61 -46.8 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -46.79 -37.47 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 19.7 mt -81.02 -23.62 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.55 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.2 t80 -72.89 -45.9 55.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.08 -64.7 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' NE ' ' HB2' ' A' ' 79' ' ' GLU . 14.6 mtp85 -49.65 -42.82 46.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 5.6 t80 -59.08 -45.02 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -71.25 -13.88 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 40.5 tp60 -87.01 -40.26 14.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.509 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 2.1 m -71.08 -25.86 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -89.45 -51.82 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 t -87.42 -68.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.25 -102.35 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -81.37 111.95 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.9 t -41.48 113.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.78 37.31 4.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 p -121.76 146.72 46.48 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.56 0.695 . . . . 0.0 111.172 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.42 48.0 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -54.03 129.74 58.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.79 155.08 66.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.301 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -54.8 156.84 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -68.29 -42.69 79.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.501 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 9.9 m-85 -66.03 -33.24 75.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.1 76.41 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.501 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -66.3 -57.28 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -38.14 -46.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.66 -22.63 59.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 56' ' ' PHE . 25.1 ttpp -67.04 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -39.35 -50.65 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 84.4 mttt -57.17 -62.38 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.514 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 85.6 t90 -43.97 -44.22 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 66' ' ' LYS . 18.0 mt-10 -60.38 -68.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -34.12 -53.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -71.27 -37.4 71.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' GLU . 20.2 tptt -55.72 -39.74 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.95 73.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.474 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 10.9 mt -80.13 53.44 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.46 -26.46 47.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -123.43 25.42 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -90.8 -175.65 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -123.67 158.58 58.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.53 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -63.52 -37.37 87.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -69.57 -20.64 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -83.02 -29.59 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.542 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 31.1 mtt -74.57 -34.73 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.24 -56.19 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.459 ' HB2' ' NE ' ' A' ' 37' ' ' ARG . 5.3 mm-40 -71.59 -34.98 70.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.8 t80 -60.03 -31.92 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.5 mt -85.76 -64.9 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.72 -56.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 p -44.0 -57.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.2 m -51.21 -23.81 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.466 ' N ' HG22 ' A' ' 84' ' ' VAL . 34.0 mtpt -76.07 -38.0 57.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -31.0 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 mt -75.46 -46.04 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.435 ' CB ' HD22 ' A' ' 22' ' ' LEU . 23.0 t70 -127.95 101.85 22.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.621 0.724 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -18.51 36.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.313 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.57 50.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.485 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 17.0 t90 -106.38 124.88 50.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -122.28 88.45 48.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.566 0.698 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.485 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 54.0 Cg_endo -69.76 -28.11 25.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -97.4 85.2 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.64 125.98 29.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -44.99 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -41.42 150.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -108.15 126.39 52.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 98' ' ' LYS . 17.5 ptmt 36.72 48.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.03 42.8 1.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -127.27 144.8 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.93 156.78 29.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -164.22 158.88 19.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.5 m -140.18 169.16 18.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.818 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.99 -156.26 45.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 171.35 14.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.345 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.4 p -133.63 -179.38 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.7 t -117.59 133.9 55.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 p -172.56 152.24 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 m -130.9 -48.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.8 112.9 1.29 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -99.89 -53.35 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.3 p -87.04 138.89 31.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.69 44.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -45.18 70.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 0.0 110.921 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -48.03 -60.3 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . 29.1 mm-40 -35.2 -53.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' PHE . 1.6 mm? -63.88 -53.15 54.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.545 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 67.4 t80 -36.42 -36.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.47 -54.77 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -48.86 -51.95 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.3 -50.37 67.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.1 -45.94 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -29.48 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -76.6 -29.89 56.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.5 -47.49 27.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -57.11 -27.03 61.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.44 -11.97 63.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.6 mt -108.86 13.45 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 mm -63.19 -34.77 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -72.07 -22.22 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -103.73 -13.06 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.19 123.28 39.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 p -74.79 156.88 36.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 29' ' ' GLU . 3.0 ppt_? -43.61 -34.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 27.0 mt-10 -72.37 -44.87 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.57 -35.99 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.57 -34.47 77.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 tp -78.33 -42.93 29.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -49.24 -38.94 28.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 22.3 mt -83.39 -20.18 34.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 2.7 t80 -76.12 -48.16 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HB1' ' N ' ' A' ' 65' ' ' TRP . . . -57.79 -61.02 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.7 mtt-85 -53.45 -44.56 68.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -56.43 -33.89 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -80.91 -20.34 42.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 5.0 tp-100 -80.79 -32.2 35.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.545 HG22 ' CZ ' ' A' ' 12' ' ' PHE . 2.8 m -81.43 -22.87 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -97.18 -52.65 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 t -86.22 -68.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.91 -147.51 18.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -44.56 125.99 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.6 t -46.17 118.54 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.27 39.73 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.4 p -136.03 152.88 76.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.633 0.73 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 148.39 64.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -68.44 138.14 91.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.462 ' CG ' ' HA ' ' A' ' 59' ' ' LYS . 53.8 Cg_endo -69.7 164.96 32.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -85.04 147.19 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -46.08 -40.49 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -57.97 -55.28 36.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.7 83.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -67.92 -60.27 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' PHE . 25.5 mt-10 -36.52 -44.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.41 -30.65 48.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' PHE . 21.1 ttpp -53.79 -64.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -50.91 -46.85 60.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -53.82 -60.1 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.465 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 80.4 t90 -53.73 -45.0 70.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 66' ' ' LYS . 32.5 mt-10 -58.69 -69.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -35.92 -52.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.431 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 15.3 t90 -72.28 -31.01 65.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 63' ' ' GLU . 42.9 tptt -62.64 -40.69 97.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.04 -30.72 60.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 55.6 mt -84.76 52.35 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.04 -75.48 0.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -112.23 51.17 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 m -90.85 135.03 34.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -63.0 154.0 78.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.15 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 p -58.58 -48.79 79.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -55.8 -21.5 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.17 -30.95 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.506 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 6.1 mtt -74.02 -32.73 63.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.21 -45.97 86.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -76.99 -42.97 36.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 2.4 t80 -54.46 -32.49 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 82' ' ' ALA . 4.7 mt -86.55 -65.7 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.82 -56.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.414 HG12 ' CD2' ' A' ' 34' ' ' LEU . 2.3 p -44.72 -58.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.5 m -48.36 -22.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 84' ' ' VAL . 23.6 mtpp -79.76 -35.78 38.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -29.42 69.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -79.92 -39.67 29.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -134.12 92.13 22.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.919 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 2.82 3.14 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.78 33.73 6.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.3 t90 -108.0 135.75 48.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -138.06 120.21 10.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.584 0.707 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -31.79 20.01 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.722 2.282 . . . . 0.0 112.32 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -84.91 84.96 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 40.1 mm -126.22 123.62 24.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -35.69 12.26 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -46.9 156.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -110.56 87.12 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -138.71 121.77 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.26 125.16 5.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -77.88 -65.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.723 0.297 . . . . 0.0 110.887 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 60.02 54.29 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 101' ' ' LYS . . . -47.26 116.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.6 t -64.13 162.19 14.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.14 164.16 33.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.37 44.93 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.659 2.24 . . . . 0.0 112.342 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.4 p -146.47 134.04 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.4 m -116.06 175.9 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -124.86 129.54 50.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 p -117.49 78.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.21 -153.06 7.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m 42.99 49.76 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -97.95 81.81 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.04 100.84 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.87 -65.71 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -46.69 -53.12 12.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -35.94 -58.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -56.97 -54.43 46.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 38' ' ' TYR . 83.8 t80 -34.28 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' LEU . 10.4 mm-40 -76.72 -46.07 26.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.77 -56.54 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.33 -41.4 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.86 65.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -31.94 73.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -71.3 -33.59 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tt -44.13 -53.34 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -55.18 -27.48 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.89 -11.52 67.72 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 29.8 mt -111.32 15.84 21.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.6 mm -64.07 -33.42 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -74.0 -21.09 60.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 27.5 m -104.39 -15.09 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.03 128.6 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 28' ' ' ARG . 65.3 m -77.2 146.61 36.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' SER . 3.5 ptp180 -35.34 -41.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.46 -50.81 63.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' SER . 20.1 mt-30 -52.24 -43.43 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.21 -42.03 60.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.8 tp -74.86 -46.03 39.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -43.59 -39.91 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 19.9 mt -77.12 -28.37 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.7 t80 -67.92 -49.45 61.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.69 -66.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.463 ' NE ' ' HB2' ' A' ' 79' ' ' GLU . 19.1 mtp85 -47.33 -51.36 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 17.9 t80 -52.76 -44.5 66.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -71.91 -13.01 61.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -89.02 -40.91 12.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.549 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 1.7 m -70.48 -25.78 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -89.68 -48.59 7.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.8 t -94.95 -65.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.88 -128.12 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -59.08 114.58 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.4 t -56.94 97.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -89.07 -38.71 14.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.7 p -40.19 146.17 0.43 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 154.95 67.02 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.276 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.537 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 60.0 tttt -62.55 134.3 95.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.513 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.73 171.15 14.96 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -71.47 153.09 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -63.86 -40.27 96.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.83 -42.12 81.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -67.53 80.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -65.93 -61.12 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' PHE . 24.9 mt-10 -34.93 -51.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.52 -33.68 47.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.449 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 28.7 ttpp -56.16 -64.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.714 0.293 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -47.4 -42.35 21.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -60.19 -56.37 22.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.543 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 86.6 t90 -55.55 -46.5 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' LYS . 19.2 mt-10 -55.19 -68.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -38.97 -50.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.489 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 14.9 t90 -74.8 -24.82 58.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.543 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.0 tptt -70.32 -45.23 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.1 -20.08 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.82 51.2 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.89 -50.17 49.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -109.09 40.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 m -88.69 -178.28 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -125.57 156.15 71.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.708 0.766 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.13 -40.79 90.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.39 -24.92 65.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -80.65 -25.23 38.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.515 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.7 mtm -82.26 -27.99 32.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -60.58 -52.33 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' HB2' ' NE ' ' A' ' 37' ' ' ARG . 77.8 mm-40 -76.22 -33.96 59.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.4 t80 -61.59 -36.34 80.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.471 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.3 mt -82.79 -62.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.51 -57.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.416 HG13 ' CD2' ' A' ' 34' ' ' LEU . 2.2 p -39.47 -59.74 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.0 OUTLIER -48.78 -32.51 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.474 ' N ' HG23 ' A' ' 84' ' ' VAL . 6.3 mtmt -74.13 -34.42 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.473 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -64.2 -29.09 70.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.62 -42.14 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -134.51 95.21 16.32 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.809 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -20.28 34.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.01 40.9 3.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -103.89 119.69 39.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -116.32 96.71 48.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -41.32 4.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -94.62 102.53 14.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.7 mm -120.84 129.71 25.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 111.111 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -41.81 3.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.397 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -55.85 141.83 37.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -81.06 136.89 36.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -55.81 150.44 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 102.32 114.93 3.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.51 145.55 29.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.311 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 47.43 28.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.77 -51.11 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.3 t -148.39 178.82 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -128.59 159.13 21.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 107' ' ' SER . 53.4 Cg_endo -69.81 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.375 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' PRO . 19.9 m -35.52 137.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.2 t -128.5 142.24 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.497 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -150.82 165.27 34.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -65.01 125.41 24.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -72.8 -121.03 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 63.9 m 36.9 48.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.842 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 m -98.97 139.05 35.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.62 75.63 1.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.87 -47.22 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.36 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -56.72 -53.87 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' ALA . 2.1 pt-20 -35.63 -39.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -74.07 -46.69 41.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.563 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 81.5 t80 -45.1 -37.77 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.67 -55.94 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -56.73 -55.49 33.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.72 -51.1 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.39 -44.04 34.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.56 75.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.6 t60 -71.16 -35.41 71.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 34' ' ' LEU . 2.2 tt -41.45 -52.95 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -50.74 -34.37 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -83.75 -14.72 72.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.537 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 88' ' ' ASP . 36.2 mt -106.32 13.87 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.336 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.7 mm -64.52 -30.43 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.04 -21.0 55.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 27.4 m -101.93 -16.59 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.33 131.49 37.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' GLN . 1.5 m -84.04 151.75 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.795 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.0 ptp180 -36.37 -45.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.833 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.19 -42.71 96.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 27' ' ' SER . 10.0 mt-30 -60.92 -36.08 78.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 31' ' ' LEU . 4.5 mm? -59.18 -47.0 86.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.4 tp -63.75 -50.64 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.727 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 28.7 t80 -41.8 -45.88 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 19' ' ' LEU . 30.0 mt -70.84 -27.21 63.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 5.4 t80 -72.85 -53.84 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.67 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.08 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.727 ' NH2' ' CD2' ' A' ' 33' ' ' TYR . 80.1 mtm180 -51.27 -50.88 58.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -47.56 -31.2 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -82.32 -30.14 30.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -75.92 -27.39 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.563 HG22 ' CZ ' ' A' ' 12' ' ' PHE . 3.2 m -87.48 -26.31 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -93.26 -52.32 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.1 t -82.29 -69.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.42 -118.38 2.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' ASN . 12.3 m120 -80.29 123.98 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.9 t -53.89 85.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' ASN . 10.0 p30 -99.48 30.87 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 p -111.27 148.69 39.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 111.174 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 155.16 66.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.236 . . . . 0.0 112.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -67.6 128.44 93.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.76 136.04 31.98 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -48.96 142.39 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 53' ' ' PHE . 5.4 t80 -50.16 -37.94 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 4.0 m-85 -57.52 -42.84 83.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -77.43 83.19 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -71.05 -58.47 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' PHE . 25.4 mt-10 -36.95 -42.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.66 -27.34 32.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 56' ' ' PHE . 22.5 ttpp -54.19 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 110.836 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -40.45 -55.67 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.572 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 7.0 mttp -49.27 -65.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.514 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 68.0 t90 -41.96 -47.87 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' LYS . 35.7 mt-10 -60.91 -71.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.48 -51.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.455 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.2 t90 -70.78 -33.7 71.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' GLU . 41.6 tptt -60.53 -44.61 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.25 -30.02 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.1 mt -81.31 52.91 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.12 -76.3 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -104.33 52.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.2 m -93.26 147.79 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -87.28 158.28 52.42 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.708 0.766 . . . . 0.0 110.818 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -50.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -34.87 74.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.38 -23.38 63.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HB1' ' CG1' ' A' ' 41' ' ' VAL . . . -86.64 -26.82 24.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 13.6 mtt -80.18 -35.48 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.12 -53.19 54.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.508 ' C ' ' NH1' ' A' ' 37' ' ' ARG . 6.3 mm-40 -75.48 -38.94 59.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.55 ' N ' ' NH1' ' A' ' 37' ' ' ARG . 6.5 t80 -50.7 -32.71 20.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 82' ' ' ALA . 9.4 mt -84.78 -60.57 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.91 -57.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.402 ' CG1' ' H ' ' A' ' 84' ' ' VAL . 2.8 p -44.04 -57.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.0 OUTLIER -49.19 -25.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.185 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.479 ' N ' HG23 ' A' ' 84' ' ' VAL . 18.9 mttm -80.64 -34.33 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -65.75 -25.75 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.02 -40.77 12.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.47 ' CB ' HD21 ' A' ' 22' ' ' LEU . 15.8 t0 -132.32 92.21 29.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.635 0.731 . . . . 0.0 110.862 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.7 Cg_endo -69.76 -27.13 26.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.23 44.42 2.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.407 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 14.3 t90 -116.27 122.04 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.418 ' CB ' HD12 ' A' ' 95' ' ' ILE . 66.9 m-20 -122.66 90.95 49.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 53.8 Cg_endo -69.75 -29.41 23.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -139.44 115.53 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.447 HD13 ' N ' ' A' ' 95' ' ' ILE . 3.9 mp -107.84 132.62 20.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -49.89 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -49.91 167.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -140.95 134.87 30.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -65.59 101.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 112.28 66.72 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 102' ' ' GLU . 18.9 mmtp -126.11 92.15 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' LYS . 27.0 mt-10 -35.16 -52.21 0.58 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -167.75 142.59 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 t -124.47 83.57 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -116.23 -158.31 11.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 107' ' ' SER . 53.6 Cg_endo -69.72 1.22 4.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.356 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 106' ' ' PRO . 2.1 m -37.28 151.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 61.9 p -41.63 -50.19 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -113.21 148.74 34.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -68.93 164.13 22.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.33 46.67 92.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -139.38 149.55 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -174.82 124.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.73 46.64 1.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.17 -41.54 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -52.9 -61.78 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' ALA . 56.4 mm-40 -35.42 -58.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -52.99 -54.84 29.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.466 ' N ' HD12 ' A' ' 81' ' ' ILE . 91.3 t80 -40.19 -29.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -74.93 -49.39 20.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -54.34 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.19 -49.76 11.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.19 -49.59 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.7 -32.54 67.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -70.45 -34.5 72.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.97 -53.74 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -53.97 -30.5 47.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.49 -13.49 65.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.431 HD23 ' CB ' ' A' ' 88' ' ' ASP . 44.7 mt -107.69 17.43 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.318 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -66.67 -41.44 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -65.51 -18.75 65.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 m -106.03 -20.64 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.28 125.05 32.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' GLN . 52.8 m -75.8 150.14 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -38.06 -41.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -69.53 -41.77 75.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' SER . 29.6 mt-30 -59.57 -29.49 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -41.7 81.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.26 -41.08 77.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -50.21 -42.74 52.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 25.9 mt -80.63 -15.78 55.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -76.98 -41.28 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -62.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' NE ' ' HB2' ' A' ' 79' ' ' GLU . 21.0 mtp85 -51.42 -46.92 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 4.0 t80 -59.67 -38.96 82.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -73.82 -12.83 60.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -90.97 -46.9 7.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 42' ' ' LYS . 4.4 m -64.71 -21.53 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.442 ' N ' HG23 ' A' ' 41' ' ' VAL . 45.2 mmtt -94.77 -51.84 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -91.03 -60.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.27 -138.91 12.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 69' ' ' GLY . 1.2 m120 -63.39 115.94 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ASN . 7.7 t -35.92 119.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.7 38.4 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.1 p -130.57 144.42 53.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.85 63.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -53.46 127.8 50.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.536 0.684 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.7 159.06 54.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.268 . . . . 0.0 112.376 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -52.4 156.26 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 16.2 t80 -70.13 -19.1 63.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -79.39 -57.56 3.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -58.46 86.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -67.93 -56.11 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' PHE . 26.0 mt-10 -37.61 -47.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.95 -31.67 47.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' PHE . 18.3 ttpp -58.06 -66.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -44.81 -47.53 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 87.6 mttt -59.74 -56.87 16.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.523 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 53.1 t90 -45.24 -51.44 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LYS . 38.9 mt-10 -59.13 -66.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -36.73 -53.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.7 t90 -71.52 -31.28 66.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' GLU . 48.6 tptt -62.43 -48.18 80.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.27 -32.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.4 mt -83.81 50.07 1.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.495 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -52.01 -73.83 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.469 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.63 51.35 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -99.13 149.52 22.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -80.43 157.79 72.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 p -58.17 -45.03 88.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -59.06 -22.76 61.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.23 -27.78 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.85 -25.64 40.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.06 -46.4 89.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.467 ' HB2' ' NE ' ' A' ' 37' ' ' ARG . 9.1 mm-40 -78.99 -41.94 27.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 2.6 t80 -52.47 -33.71 45.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 12' ' ' PHE . 5.8 mt -84.92 -63.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.69 -56.88 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.415 HG13 ' CD2' ' A' ' 34' ' ' LEU . 2.3 p -44.33 -57.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.3 m -49.67 -23.79 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 84' ' ' VAL . 4.3 mtpm? -77.99 -36.35 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -67.61 -28.61 67.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mt -81.82 -43.04 18.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.431 ' CB ' HD23 ' A' ' 22' ' ' LEU . 16.9 t70 -131.55 96.97 19.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -19.44 36.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.716 2.277 . . . . 0.0 112.41 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.92 42.49 3.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -121.13 124.81 45.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -135.01 90.73 20.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.729 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -24.15 30.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -143.26 116.39 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.4 mp -107.51 126.97 28.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -46.24 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -51.22 157.15 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -114.94 166.9 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -85.95 35.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.51 116.19 4.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -64.62 111.74 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 44.28 42.88 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.53 92.04 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.0 m -134.2 142.36 47.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -168.04 70.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 91.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.1 m 57.92 42.62 22.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.8 m -113.42 101.66 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -49.72 170.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -124.93 111.04 14.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.44 -116.52 7.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -114.6 172.41 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -121.6 132.37 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.38 130.33 13.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.93 -46.04 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.72 -43.24 72.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.464 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 4.6 pt-20 -46.57 -42.81 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 4.3 mm? -68.5 -48.56 64.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 92.5 t80 -43.75 -39.91 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.06 -56.31 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -54.07 -56.62 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.6 -45.89 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.55 -46.58 57.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.3 72.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -73.89 -31.58 63.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' C ' HD21 ' A' ' 19' ' ' LEU . 1.6 tt -45.42 -51.51 11.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -55.04 -27.71 46.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.33 -14.95 63.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.42 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 19.1 mt -107.46 19.62 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -68.27 -35.48 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.77 -19.17 59.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 32.6 m -103.46 -18.14 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.74 126.17 34.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' GLN . 3.4 t -74.6 148.7 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -38.03 -35.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -73.68 -43.37 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 27' ' ' SER . 67.2 mt-30 -59.7 -33.15 71.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.52 -37.08 82.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.3 tp -76.67 -51.92 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.645 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 44.1 t80 -37.46 -52.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.555 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 54.6 mt -58.67 -36.55 74.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' NZ ' ' A' ' 61' ' ' LYS . 7.5 t80 -65.95 -53.24 41.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.62 -71.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.645 ' NH2' ' CD2' ' A' ' 33' ' ' TYR . 19.5 mtm-85 -58.85 -48.34 81.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.7 t80 -47.28 -33.06 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 15.1 mmmt -82.9 -31.03 28.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -70.62 -30.7 67.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 76' ' ' ALA . 2.9 m -77.26 -22.83 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -93.16 -50.63 5.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -91.18 -70.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.52 -125.56 5.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -61.96 112.98 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 t -47.11 95.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -104.57 37.24 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 p -121.8 150.88 56.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 151.77 69.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.226 . . . . 0.0 112.371 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 54.4 tttt -64.76 135.05 96.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.518 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.8 150.53 68.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 t -65.15 156.05 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.99 -48.07 79.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.477 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 6.0 m-85 -50.71 -49.5 57.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.14 75.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -64.14 -54.27 36.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -42.55 -56.7 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.42 -27.62 73.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 22.5 ttpt -56.13 -58.6 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.72 0.295 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -54.02 -47.41 71.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.514 ' NZ ' ' CE2' ' A' ' 35' ' ' TYR . 27.7 mtpt -54.29 -60.43 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.518 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.7 t90 -50.19 -42.04 50.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -60.53 -66.92 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.38 -53.27 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -68.21 -34.19 75.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -60.86 -39.1 87.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.08 65.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -87.88 54.72 3.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.62 -38.35 28.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.446 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -113.71 34.74 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -95.06 -179.65 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -125.67 161.18 52.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -70.93 -21.81 62.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.463 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . . . -82.15 -28.62 32.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.557 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 26.8 mtt -75.43 -36.71 60.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -53.25 -44.19 67.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -81.04 -36.54 30.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 29.2 t80 -61.07 -29.07 69.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 82' ' ' ALA . 5.0 mt -88.05 -65.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.172 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.62 -57.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 p -38.53 -60.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.479 HG21 ' N ' ' A' ' 85' ' ' LYS . 1.0 OUTLIER -49.34 -31.76 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.479 ' N ' HG21 ' A' ' 84' ' ' VAL . 44.5 mtpt -67.41 -33.47 75.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -37.25 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.0 mt -68.03 -51.27 48.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -117.7 95.63 48.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 1.75 4.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.42 21.98 25.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.461 ' CZ3' ' CG2' ' A' ' 84' ' ' VAL . 24.2 t90 -89.06 132.73 34.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -134.23 84.76 40.8 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.455 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 53.7 Cg_endo -69.76 -46.57 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.324 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.425 ' C ' HD13 ' A' ' 95' ' ' ILE . 30.0 tt0 -134.82 72.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.425 HD13 ' C ' ' A' ' 94' ' ' GLN . 2.9 mp -133.57 122.91 17.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -29.04 24.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.48 151.74 31.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -96.17 90.82 5.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -174.98 134.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 120.15 -102.46 0.88 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -153.04 130.41 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 103' ' ' ALA . 12.9 tp10 -169.8 153.58 4.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 102' ' ' GLU . . . -70.88 137.21 49.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.0 p -76.02 132.63 40.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.413 ' HA2' ' HD2' ' A' ' 106' ' ' PRO . . . -155.74 102.29 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 107' ' ' SER . 54.4 Cg_endo -69.71 2.73 3.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' PRO . 33.7 t -35.52 136.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.0 p -148.32 170.22 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -120.25 -52.94 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.921 0.391 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 t -70.58 108.78 4.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.09 47.81 6.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 m -45.29 127.59 7.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.891 0.377 . . . . 0.0 110.917 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m 38.26 41.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.24 49.69 1.12 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 77' ' ' MET . 1.1 tm? -83.69 -51.72 7.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -52.82 -55.89 19.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.075 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 7.0 pt-20 -35.44 -51.02 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.06 -55.52 24.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.539 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.2 t80 -43.95 -37.97 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.57 -53.97 39.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -60.62 -56.05 25.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.45 -51.39 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.59 -45.54 18.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.02 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 21' ' ' GLY . 2.4 t60 -80.34 -33.38 37.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 34' ' ' LEU . 1.2 tt -44.64 -45.96 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -62.53 -29.97 70.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -88.27 -9.04 70.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 88' ' ' ASP . 47.4 mt -111.97 13.91 20.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mm -63.76 -35.32 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -70.55 -20.8 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 m -104.66 -18.53 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.25 126.12 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ARG . 71.2 m -80.25 156.41 26.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' SER . 25.1 mmt180 -34.07 -52.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -54.7 -60.4 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -39.02 -55.92 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -43.7 -39.39 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.7 tp -82.21 -52.04 7.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -40.43 -38.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 37.9 mt -75.65 -34.05 60.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.564 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -63.33 -44.25 95.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.89 -63.46 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.08 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 79' ' ' GLU . 65.3 mtt-85 -59.63 -50.47 73.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.428 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 5.9 t80 -51.45 -44.36 62.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 22.8 mmmt -73.08 -19.72 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 40.2 tp60 -81.41 -33.75 32.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.529 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 2.2 m -76.76 -26.12 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.423 ' N ' HG21 ' A' ' 41' ' ' VAL . 23.4 mmtp -87.68 -49.94 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.0 t -89.65 -65.82 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.7 -116.67 3.63 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' CYS . 9.4 m120 -73.09 104.63 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.856 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' ASN . 45.1 t -38.18 112.28 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -123.91 36.46 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 p -116.95 150.81 46.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 143.56 50.95 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.688 2.259 . . . . 0.0 112.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -55.87 135.96 72.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.534 0.683 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.505 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.84 175.57 8.0 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -75.79 164.03 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.86 -30.85 40.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -81.08 -15.7 55.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.29 82.24 3.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -66.92 -56.88 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' PHE . 18.1 mt-10 -37.03 -45.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.39 -22.93 49.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' PHE . 28.9 ttpt -66.71 -60.26 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -49.75 -53.44 24.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 25.9 mtpt -51.97 -56.38 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.548 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 90.3 t90 -53.17 -43.06 66.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' LYS . 26.0 mt-10 -58.83 -70.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -34.16 -54.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -68.77 -35.23 76.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.548 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.6 tptt -57.93 -44.21 86.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.85 -21.86 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.458 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 22.6 mt -91.69 50.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.34 -38.58 53.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -112.35 31.15 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 m -86.41 -179.54 6.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -125.45 155.92 71.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.83 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -34.42 77.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -76.73 -16.33 59.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.57 -22.81 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.539 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 16.8 mtt -78.47 -42.4 29.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -49.59 -54.3 19.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.425 ' HB2' ' CD ' ' A' ' 37' ' ' ARG . 78.5 mm-40 -67.42 -43.08 82.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 6.7 t80 -55.21 -34.28 63.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 82' ' ' ALA . 10.2 mt -82.83 -62.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -32.72 -54.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.435 ' CG1' HD21 ' A' ' 34' ' ' LEU . 2.8 p -46.68 -56.67 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.468 HG21 ' N ' ' A' ' 85' ' ' LYS . 1.1 m -49.93 -26.7 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.468 ' N ' HG21 ' A' ' 84' ' ' VAL . 30.8 mttm -79.8 -33.11 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -66.66 -26.31 66.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.18 -44.63 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.422 ' HB2' ' CD2' ' A' ' 22' ' ' LEU . 11.3 t0 -128.17 88.58 52.44 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.75 14.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.72 33.8 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.527 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . 0.496 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 8.2 t90 -104.28 112.38 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -108.62 88.85 5.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.496 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 53.4 Cg_endo -69.78 -11.75 31.44 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.238 . . . . 0.0 112.345 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -132.33 90.59 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.5 mm -88.8 125.7 61.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -29.51 23.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.469 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 26.3 tt0 -53.97 152.19 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 5.0 mmtp -141.3 162.57 35.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -55.53 128.73 35.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.06 -57.77 2.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -66.59 110.65 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -106.52 109.32 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.39 94.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 t 73.38 35.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -116.89 96.03 0.69 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.513 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.01 15.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.28 . . . . 0.0 112.369 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.5 p -60.97 158.42 13.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 t -54.33 149.52 9.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 3' ' ' SER . 16.0 m -146.55 131.24 17.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 2' ' ' SER . 30.3 t -36.99 -54.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.96 98.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -62.25 115.02 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -78.37 160.24 27.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.86 73.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.2 tm? -87.68 -66.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -36.35 -58.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 9' ' ' ALA . 9.9 pt-20 -35.71 -47.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 3.4 mm? -65.97 -52.53 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.647 ' CZ ' ' CD2' ' A' ' 38' ' ' TYR . 72.7 t80 -39.51 -37.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -71.89 -56.79 5.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -53.05 -54.4 35.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.67 -46.99 20.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.49 -48.09 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.58 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -74.7 -30.41 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -46.49 -52.26 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -57.89 -23.56 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.49 -10.81 63.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD22 ' CB ' ' A' ' 88' ' ' ASP . 37.6 mt -112.43 19.02 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.58 -33.72 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -73.02 -17.44 61.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.9 m -109.76 -15.27 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.26 132.09 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.98 151.14 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 10.6 ptt180 -40.07 -35.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 2.2 mm-40 -75.72 -45.5 36.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -56.75 -36.27 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.7 -42.43 97.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.418 ' CD1' ' HG2' ' A' ' 61' ' ' LYS . 2.0 tp -73.04 -43.8 61.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -45.63 -37.96 6.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 24.1 mt -80.83 -28.38 36.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.569 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.8 t80 -66.97 -51.27 57.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HB1' ' C ' ' A' ' 64' ' ' ALA . . . -53.52 -64.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.075 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -53.44 -49.17 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.647 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 8.6 t80 -58.84 -33.41 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 17.8 mmmt -79.45 -13.3 59.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 3.3 tp-100 -94.77 -23.48 17.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.571 HG22 ' CZ ' ' A' ' 12' ' ' PHE . 4.9 m -88.65 -28.03 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 3.7 mmpt? -86.68 -53.37 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.7 t -87.83 -66.6 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.2 -143.5 15.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.51 112.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 t -46.35 125.58 6.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -127.04 -37.7 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.1 p -40.83 154.55 0.21 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 147.0 61.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -66.7 134.83 94.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.464 ' CG ' ' HA ' ' A' ' 59' ' ' LYS . 53.3 Cg_endo -69.76 152.7 69.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -70.65 158.7 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -57.51 -45.88 84.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 m-85 -54.63 -46.66 73.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.76 75.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -63.64 -59.14 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -37.52 -57.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.28 -28.52 73.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 26.6 ttpp -56.18 -56.23 23.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -56.63 -45.67 81.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 28.4 mtpt -56.64 -60.41 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.456 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.3 t90 -54.51 -48.89 71.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' LYS . 11.7 mt-10 -54.08 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -34.19 -51.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -65.63 -40.1 92.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' GLU . 47.9 tptt -56.27 -46.51 79.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.21 -31.52 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.496 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 30.7 mt -86.53 55.57 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.89 -78.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.65 54.27 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -92.51 124.92 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -52.32 150.99 7.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.741 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -51.25 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.715 2.276 . . . . 0.0 112.299 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 p -56.81 -40.95 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -65.89 -19.61 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . . . -95.17 -19.67 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.53 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.1 mtm -87.68 -38.41 15.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -54.4 -48.68 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.03 -43.2 45.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 1.3 t80 -52.03 -31.07 28.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 82' ' ' ALA . 8.1 mt -84.92 -62.31 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.75 -55.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.408 ' CG1' HD21 ' A' ' 34' ' ' LEU . 2.5 p -44.07 -57.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 85' ' ' LYS . 1.5 m -49.74 -25.14 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.478 ' N ' HG23 ' A' ' 84' ' ' VAL . 20.7 mtpp -81.13 -35.94 30.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.483 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -63.13 -26.4 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.49 -47.66 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.466 ' CB ' HD22 ' A' ' 22' ' ' LEU . 30.4 t70 -123.88 93.15 47.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -10.21 28.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.649 2.233 . . . . 0.0 112.374 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.94 51.05 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -117.94 122.17 42.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.14 115.98 34.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -41.29 4.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -95.83 97.69 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.9 mm -95.39 123.25 57.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.625 0.726 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -64.9 171.44 3.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? 51.15 54.95 10.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.42 -43.61 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 167.23 179.98 40.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -127.62 164.99 20.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -82.89 -62.01 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.62 171.41 14.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.9 t -90.53 101.88 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.56 -176.25 52.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 164.09 35.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.382 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.7 t -49.78 -46.1 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.0 t -168.52 114.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -172.71 165.25 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.1 p -82.45 161.57 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.26 172.28 28.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t -122.89 157.04 33.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.354 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -83.33 -22.37 32.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.57 117.97 0.64 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.97 -40.97 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -58.93 -62.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 13.7 pt-20 -36.59 -39.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 2.8 mm? -69.3 -47.3 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.565 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 44.9 t80 -48.2 -36.26 13.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -69.67 -48.52 59.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -61.64 -53.67 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.88 -48.01 42.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.37 -48.15 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.63 -30.58 71.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -74.78 -30.34 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.02 -52.56 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -55.94 -25.67 44.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.05 -11.58 67.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 88' ' ' ASP . 33.5 mt -111.19 17.76 20.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.2 mm -65.61 -39.78 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -68.5 -18.41 64.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.03 -16.57 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 128.88 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.1 t -80.91 146.88 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.469 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -36.16 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.2 mm-40 -75.18 -49.74 18.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' SER . 16.9 mm-40 -51.71 -48.21 63.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.7 -54.13 10.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.3 tp -59.51 -47.71 84.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.418 ' CE1' ' NH1' ' A' ' 37' ' ' ARG . 59.0 t80 -43.55 -42.79 5.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 80' ' ' TYR . 23.5 mt -77.91 -26.04 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 5.8 t80 -65.42 -52.75 51.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.4 -65.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.454 ' CD ' ' HB2' ' A' ' 79' ' ' GLU . 37.8 mtt85 -54.35 -40.7 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 3.1 t80 -63.37 -35.22 79.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -77.31 -19.97 55.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -84.11 -30.3 26.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.565 HG23 ' CZ ' ' A' ' 12' ' ' PHE . 2.8 m -80.89 -26.33 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' N ' HG21 ' A' ' 41' ' ' VAL . 40.7 mmtt -92.13 -47.32 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.8 t -96.46 -66.58 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.62 -151.17 16.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 69' ' ' GLY . 2.1 m-20 -49.86 114.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.344 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ASN . 14.9 t -35.93 124.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -126.53 36.26 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.0 p -127.55 143.75 48.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.74 55.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.366 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 tttp -45.2 128.52 5.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.76 172.0 13.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.314 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 t -73.79 135.95 43.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -47.16 -38.45 11.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -63.39 -48.35 78.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -64.29 82.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -49.34 64.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -47.12 -44.08 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.78 -22.84 54.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.539 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -63.63 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -45.85 -56.1 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 66.8 mttt -51.74 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.526 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 63.5 t90 -39.18 -48.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' LYS . 28.9 mt-10 -62.53 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.58 -52.23 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -72.73 -28.73 62.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.448 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 17.5 tptm -65.26 -48.48 73.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.79 -22.94 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.077 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.24 52.7 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.502 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -76.05 -38.42 35.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.4 32.45 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 m -92.04 -177.86 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -128.7 160.01 65.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.74 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.4 -32.44 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -75.51 -19.23 59.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.34 -23.82 22.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.415 ' HG2' ' CG ' ' A' ' 12' ' ' PHE . 26.3 mtt -78.57 -27.46 45.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.85 -46.14 89.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.454 ' HB2' ' CD ' ' A' ' 37' ' ' ARG . 70.8 mm-40 -78.66 -36.77 43.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.2 t80 -62.38 -26.86 68.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 12' ' ' PHE . 5.8 mt -90.73 -66.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.073 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.79 -56.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 HG13 ' CD2' ' A' ' 34' ' ' LEU . 2.5 p -43.99 -57.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 85' ' ' LYS . 1.2 m -50.41 -24.45 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 84' ' ' VAL . 20.4 mtpp -76.08 -34.5 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.15 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.89 -38.38 57.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.455 ' CB ' HD23 ' A' ' 22' ' ' LEU . 16.0 t70 -134.32 93.47 19.19 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.708 . . . . 0.0 110.835 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.86 5.04 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.27 41.86 2.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -115.7 135.66 53.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.744 0.306 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -140.59 119.92 8.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -20.45 34.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.305 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -99.35 81.74 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.6 mm -109.67 129.48 23.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -41.0 4.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.26 . . . . 0.0 112.337 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -47.67 162.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -92.97 116.48 29.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -142.54 157.46 44.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 114.61 153.11 10.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -66.65 -30.3 70.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -129.79 143.24 50.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.94 -62.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.1 p -134.9 163.91 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -79.88 133.26 12.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 107' ' ' SER . 53.7 Cg_endo -69.73 -21.97 32.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 106' ' ' PRO . 1.3 t -34.75 -53.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.3 t -66.24 146.83 54.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -48.43 -55.92 9.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 5.5 pt-20 -35.05 -45.46 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 4.6 mm? -66.41 -51.19 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.549 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 53.5 t80 -47.15 -31.08 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.56 -49.67 38.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -62.59 -58.9 5.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.59 -50.53 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.68 -47.32 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -31.1 72.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.819 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.4 t60 -72.97 -32.83 65.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -44.74 -53.8 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -55.32 -26.89 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.09 -13.66 58.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.819 HD11 ' CD2' ' A' ' 18' ' ' HIS . 56.9 mt -110.02 19.18 19.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -66.9 -38.91 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.19 -26.39 65.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.89 -11.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.49 128.41 43.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' HD23 ' A' ' 31' ' ' LEU . 42.8 m -79.32 158.27 27.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.1 mmt-85 -39.68 -53.16 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -59.9 -41.71 92.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -58.01 -38.65 76.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -60.06 -42.43 94.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.646 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.8 tp -71.87 -51.0 24.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 48.1 t80 -38.63 -40.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.896 HD21 HG11 ' A' ' 83' ' ' VAL . 22.6 mt -78.83 -34.37 45.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LEU . 9.7 t80 -61.41 -60.34 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB2' ' CB ' ' A' ' 64' ' ' ALA . . . -43.2 -63.83 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.73 ' O ' HG13 ' A' ' 41' ' ' VAL . 21.8 mtt85 -55.88 -43.54 77.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 4.2 t80 -58.88 -26.72 64.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HE3' ' CH2' ' A' ' 65' ' ' TRP . 26.8 mmmt -85.59 -27.23 25.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.955 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -78.22 -23.56 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 37' ' ' ARG . 3.2 m -88.53 -30.97 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -86.44 -50.09 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 t -96.23 -65.19 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.67 -122.41 5.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 46' ' ' CYS . 7.9 m120 -61.64 128.23 35.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ASN . 2.4 t -36.82 -50.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.1 p30 35.19 35.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' CYS . 8.0 p -135.07 147.78 64.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.81 49.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 49.9 tttt -62.12 139.2 96.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.73 167.83 23.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -66.23 152.5 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.25 -49.38 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.432 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.9 m-85 -58.37 -41.51 84.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -68.82 78.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -65.32 -61.27 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' PHE . 20.7 mt-10 -35.26 -54.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.32 -28.93 67.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' PHE . 27.0 ttpp -56.82 -60.98 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.727 0.299 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -46.36 -49.31 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.646 ' HG2' HD11 ' A' ' 32' ' ' LEU . 22.6 mtpt -50.11 -63.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.528 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.1 t90 -50.66 -42.02 56.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -58.53 -65.61 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' A' ' 36' ' ' ALA . . . -47.44 -45.91 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.518 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 15.2 t90 -75.52 -23.17 56.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 23.6 tptt -74.64 -41.57 60.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.86 -26.52 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' GLY . 19.0 mt -83.82 54.98 3.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . -36.94 -79.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -124.16 50.93 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -79.84 149.09 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -73.96 157.2 87.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.669 0.747 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -57.61 -44.8 85.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.83 -24.99 64.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.701 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -86.27 -26.1 25.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.549 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 12.5 mtt -79.85 -31.4 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -58.88 -51.97 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.612 ' O ' HG12 ' A' ' 83' ' ' VAL . 31.1 mt-10 -72.98 -32.26 65.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.8 t80 -64.89 -25.34 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.1 mt -90.56 -65.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.524 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.66 -58.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.896 HG11 HD21 ' A' ' 34' ' ' LEU . 2.0 p -40.41 -59.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.677 ' H ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -49.43 -29.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' ALA . 29.7 mtpt -69.91 -34.65 73.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.52 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -70.75 -34.42 71.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.48 -38.83 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.404 ' HB2' HD22 ' A' ' 22' ' ' LEU . 22.9 t70 -133.58 94.24 19.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.615 0.722 . . . . 0.0 110.821 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.1 Cg_endo -69.82 -13.01 33.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.637 2.225 . . . . 0.0 112.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.07 36.62 3.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 23.4 t90 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 78' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -71.88 -57.73 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' ALA . 51.7 mm-40 -35.32 -47.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.408 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.8 mm? -65.08 -50.87 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 63.2 t80 -44.08 -24.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -83.76 -49.7 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -63.76 -50.01 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.41 -46.12 47.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.79 54.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.76 -25.48 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -80.17 -27.83 38.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 ' OH ' ' A' ' 80' ' ' TYR . 1.9 tt -49.57 -46.64 49.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -60.63 -22.79 64.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.11 -11.13 60.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HB2' ' A' ' 88' ' ' ASP . 27.4 mt -112.02 17.64 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.4 mm -67.24 -36.19 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.1 -23.77 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -101.73 -14.3 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -90.7 138.59 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.1 p -89.63 149.59 22.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 5.7 ptp180 -39.53 -32.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 50.8 mt-10 -73.82 -51.04 17.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.493 HE22 ' CD2' ' A' ' 87' ' ' LEU . 31.8 mt-30 -53.23 -44.77 68.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.447 HD13 HD21 ' A' ' 19' ' ' LEU . 4.5 mm? -50.4 -39.45 47.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.7 tp -75.57 -48.11 23.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 62.6 t80 -42.82 -35.7 1.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.931 HD21 HG11 ' A' ' 83' ' ' VAL . 20.0 mt -83.15 -31.48 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.529 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 5.4 t80 -62.41 -56.65 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.559 ' HB2' ' CB ' ' A' ' 64' ' ' ALA . . . -49.37 -62.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.626 ' O ' HG13 ' A' ' 41' ' ' VAL . 40.4 mtt85 -53.5 -47.46 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 2.8 t80 -60.99 -30.99 70.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 20.9 mmmt -78.51 -24.09 45.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -78.96 -44.99 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.671 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -66.86 -24.61 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -90.28 -52.93 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.66 -63.9 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.32 -142.78 17.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -46.18 106.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.3 t -38.12 129.03 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -127.96 -32.89 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.0 p -51.4 151.43 5.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.52 48.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.695 2.264 . . . . 0.0 112.372 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -58.54 129.0 84.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.567 0.698 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 131.55 21.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.289 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.23 152.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -54.21 -45.25 72.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.486 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 4.7 m-85 -49.96 -47.37 52.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -73.82 77.66 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -66.54 -58.51 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -38.57 -56.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.6 -20.69 77.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' PHE . 26.8 ttpp -64.68 -55.16 21.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -52.84 -44.0 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.628 ' HG2' HD11 ' A' ' 32' ' ' LEU . 26.7 mtpt -61.99 -46.86 87.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 82.3 t90 -62.77 -43.9 97.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -59.0 -65.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.559 ' CB ' ' HB2' ' A' ' 36' ' ' ALA . . . -39.11 -53.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -67.26 -37.22 83.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.504 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 18.1 tptm -57.17 -51.1 70.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.09 -36.13 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.7 mt -76.73 50.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.59 -74.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -113.1 49.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.6 m -90.28 136.69 32.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -63.54 150.72 89.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.414 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.83 -50.38 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 t -55.22 -46.0 75.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -57.97 -27.46 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.671 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -82.74 -25.86 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.541 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 8.2 mtt -78.71 -32.73 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.414 ' HG2' HD21 ' A' ' 8' ' ' LEU . 12.0 mt-30 -59.46 -54.22 49.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.835 ' O ' HG12 ' A' ' 83' ' ' VAL . 55.0 mm-40 -66.64 -43.75 83.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.6 t80 -53.26 -36.63 61.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.817 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -82.21 -65.69 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.516 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.63 -56.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.931 HG11 HD21 ' A' ' 34' ' ' LEU . 2.2 p -45.27 -56.21 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -50.65 -23.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -78.6 -38.6 39.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.503 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -64.23 -29.88 70.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.493 ' CD2' HE22 ' A' ' 30' ' ' GLN . 5.4 mt -79.79 -40.72 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.55 ' HB2' HD22 ' A' ' 22' ' ' LEU . 21.2 t0 -134.57 94.28 17.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.703 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.3 Cg_endo -69.75 -7.21 20.48 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.69 45.31 2.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 23.0 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.513 HD12 ' CB ' ' A' ' 77' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.346 . . . . 0.0 110.943 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -46.58 -63.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ALA . 28.2 mm-40 -35.23 -52.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.426 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.1 mm? -61.04 -46.07 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 80.7 t80 -48.74 -37.5 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.11 -57.24 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -54.62 -57.35 11.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.63 -54.07 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.36 -46.98 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.68 -28.64 69.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.449 ' NE2' HD21 ' A' ' 22' ' ' LEU . 4.9 t60 -77.62 -29.82 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.451 ' HG ' ' CD1' ' A' ' 34' ' ' LEU . 2.3 tt -45.7 -47.87 15.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -56.87 -30.03 63.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.33 -13.64 67.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.449 HD21 ' NE2' ' A' ' 18' ' ' HIS . 27.2 mt -107.04 17.71 22.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.14 -30.41 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -81.14 -18.8 45.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 29.7 m -104.46 -15.18 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.95 123.27 34.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -72.6 155.36 40.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -41.89 -31.47 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.43 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 35.8 mt-10 -75.9 -46.06 32.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.541 HE21 ' HA ' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -54.18 -45.89 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.1 -44.13 51.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.9 tp -73.05 -44.47 60.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.642 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 32.1 t80 -47.41 -52.56 16.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.651 HD21 HG11 ' A' ' 83' ' ' VAL . 38.3 mt -62.49 -24.13 67.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.53 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.9 t80 -79.67 -45.84 18.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.8 -63.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.794 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 23.3 mtm-85 -64.56 -47.24 79.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -47.98 -40.67 23.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 13.6 mmmt -76.01 -28.44 57.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.443 ' CD ' ' O ' ' A' ' 68' ' ' LEU . 50.0 tp60 -73.4 -34.4 65.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.729 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 10.1 m -78.04 -24.74 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -87.55 -49.94 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 t -95.18 -65.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.31 -141.53 13.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -48.15 123.27 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.7 t -58.17 115.55 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -114.82 -34.82 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.8 p -44.41 148.3 0.89 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 143.39 50.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 76.9 tttt -56.86 136.42 79.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.54 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.74 173.09 11.46 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 t -79.43 141.63 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.34 -48.33 55.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.53 -35.34 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -75.39 78.31 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -63.91 -56.52 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' PHE . 39.9 mt-10 -35.14 -57.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.58 -42.94 53.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 19.4 ttpt -40.84 -56.62 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 3.4 pt20 -55.26 -43.85 75.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.725 ' HG2' HD11 ' A' ' 32' ' ' LEU . 21.5 mtpt -58.54 -60.18 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.54 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.8 t90 -55.77 -38.61 70.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ALA . 11.4 mt-10 -62.72 -71.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.87 -56.38 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -63.14 -44.65 94.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 62' ' ' TRP . 8.7 tptp -49.46 -47.07 48.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.29 -26.38 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 40' ' ' GLN . 18.6 mt -89.77 50.84 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.56 -47.38 27.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -108.16 35.29 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.0 m -99.88 144.41 28.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 m -83.03 161.42 57.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.702 0.763 . . . . 0.0 110.788 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.481 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.8 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 p -60.98 -44.22 97.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.78 -15.73 43.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.794 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -93.23 -27.88 16.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.535 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.4 mtt -76.28 -32.22 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.439 ' HG2' HD21 ' A' ' 8' ' ' LEU . 32.2 mt-30 -57.91 -46.34 85.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.696 ' O ' HG12 ' A' ' 83' ' ' VAL . 41.8 mt-10 -76.29 -38.0 56.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 9.2 t80 -59.91 -24.86 64.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.851 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -91.63 -65.39 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.537 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -33.01 -55.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 79' ' ' GLU . 2.2 p -44.6 -58.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.8 m -49.39 -22.05 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -79.65 -36.86 37.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.404 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.98 -28.23 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.443 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 3.1 mt -83.17 -37.07 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 30.2 t70 -134.62 93.48 18.3 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.592 0.71 . . . . 0.0 110.873 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.2 Cg_endo -69.73 -8.58 23.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.0 -10.34 69.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 30.5 t90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.857 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.68 -52.13 24.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -42.74 -44.05 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.4 mm? -69.76 -51.69 31.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.522 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.9 t80 -42.97 -35.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.51 -54.24 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -59.11 -57.13 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.85 -47.75 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.98 -44.77 51.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.12 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.639 ' CD2' HD11 ' A' ' 22' ' ' LEU . 3.5 t60 -75.67 -35.27 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.06 -46.27 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -60.73 -32.45 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -84.81 -8.08 83.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.639 HD11 ' CD2' ' A' ' 18' ' ' HIS . 31.8 mt -112.81 12.38 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.83 -29.81 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -77.42 -18.23 57.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 35.9 m -107.4 -12.01 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.31 136.5 33.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 t -86.07 151.78 23.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -44.47 -30.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -79.69 -38.55 33.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.629 ' NE2' HD21 ' A' ' 87' ' ' LEU . 59.5 mt-30 -63.89 -42.72 97.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.19 -39.57 66.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD11 ' HG2' ' A' ' 61' ' ' LYS . 3.1 tp -72.94 -44.23 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 56.7 t80 -47.54 -38.9 15.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 83' ' ' VAL . 13.3 mt -80.86 -20.93 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.569 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -72.63 -44.8 61.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.538 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -60.2 -63.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.583 ' NH1' ' CZ ' ' A' ' 33' ' ' TYR . 51.0 mtt85 -54.88 -47.06 74.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 9.8 t80 -58.05 -40.75 81.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.53 -18.88 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -82.32 -47.69 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.708 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -65.84 -27.2 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -86.83 -51.03 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.76 -64.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.0 -131.59 9.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -59.25 121.87 12.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.7 t -45.23 117.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.18 -29.4 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.7 p -60.5 146.97 84.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.601 0.715 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.92 55.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -55.51 129.36 69.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.51 0.672 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.2 Cg_endo -69.75 167.91 23.05 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -70.51 155.69 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -64.83 -43.57 92.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.576 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.8 m-85 -68.11 -26.02 65.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -80.07 58.46 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -52.53 -55.52 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -40.59 -46.82 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.74 -14.64 60.91 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 22.3 ttpp -70.98 -64.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -43.52 -52.06 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.2 mtpt -50.75 -54.92 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.528 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.3 t90 -57.96 -39.21 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LYS . 19.4 mt-10 -62.26 -68.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -36.83 -51.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.66 -33.39 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.5 tptt -62.44 -45.93 90.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.44 -22.6 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.6 mt -89.32 52.41 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.92 -73.32 0.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -109.38 51.12 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 m -89.82 131.5 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -67.41 155.52 90.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.676 0.751 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.48 ' HA ' HG12 ' A' ' 41' ' ' VAL . 54.0 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.355 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 p -56.21 -46.08 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -61.27 -20.26 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.708 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -91.52 -21.48 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.522 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 12.6 mtm -87.08 -28.3 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.37 -49.9 73.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.691 ' O ' HG12 ' A' ' 83' ' ' VAL . 6.8 mm-40 -76.39 -31.88 58.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 11.2 t80 -63.03 -30.86 71.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.745 ' O ' HG22 ' A' ' 84' ' ' VAL . 7.8 mt -85.33 -64.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.609 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.64 -57.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.737 HG11 HD21 ' A' ' 34' ' ' LEU . 2.0 p -43.34 -59.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -49.94 -24.0 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -76.42 -44.13 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.609 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -59.0 -30.45 68.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.629 HD21 ' NE2' ' A' ' 30' ' ' GLN . 5.1 mt -77.68 -43.09 32.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.467 ' HB2' HD22 ' A' ' 22' ' ' LEU . 25.8 t0 -131.74 94.76 24.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.7 Cg_endo -69.77 -19.06 36.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.77 31.05 4.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 16.9 t90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.8 0.334 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -51.1 -53.82 30.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.707 ' HG3' HD22 ' A' ' 11' ' ' LEU . 6.5 pt-20 -36.31 -39.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.707 HD22 ' HG3' ' A' ' 10' ' ' GLU . 2.0 mm? -75.05 -44.39 48.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.464 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 74.7 t80 -50.68 -29.81 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -75.68 -50.09 16.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HE3' HD13 ' A' ' 11' ' ' LEU . 30.0 mtmt -61.79 -57.57 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.12 -51.69 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.23 -45.63 11.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.64 75.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.463 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.9 t60 -71.4 -33.62 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.522 HD11 HD12 ' A' ' 34' ' ' LEU . 1.7 tt -43.53 -54.11 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.29 -31.64 33.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.14 -12.87 72.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 88' ' ' ASP . 33.6 mt -109.24 16.65 22.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 31' ' ' LEU . 25.1 mm -65.87 -32.14 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -74.9 -17.79 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -107.57 -12.85 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.75 122.48 37.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ARG . 35.6 m -73.32 152.29 40.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' SER . 10.0 ptm180 -35.13 -52.0 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.2 -48.18 82.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -50.04 -45.02 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 23' ' ' ILE . 4.3 mm? -52.74 -52.85 54.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.4 tp -63.31 -42.82 99.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.488 ' HD2' HD23 ' A' ' 34' ' ' LEU . 77.2 t80 -45.78 -38.39 7.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.736 ' CD2' HG11 ' A' ' 83' ' ' VAL . 15.2 mt -83.34 -26.33 30.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.7 t80 -67.59 -49.01 65.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -52.23 -62.74 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.734 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 87.8 mtt-85 -54.27 -54.2 43.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -48.75 -37.03 17.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 19.0 mmmt -77.34 -21.3 53.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -83.36 -34.61 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.664 HG12 ' HB3' ' A' ' 76' ' ' ALA . 3.1 m -78.25 -25.23 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -90.91 -43.93 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.0 -66.52 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.4 -137.36 12.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -54.03 108.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 t -36.33 106.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.7 p30 -112.39 34.9 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.9 p -123.66 149.08 57.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.562 0.696 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.91 66.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 23.3 ttmt -58.53 137.62 85.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.527 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.0 Cg_endo -69.71 -177.49 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -85.34 161.16 19.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -68.02 -38.65 82.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -72.85 -38.16 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.11 79.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -66.57 -56.2 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -42.38 -46.08 4.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.94 -16.95 71.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' PHE . 23.9 ttpp -70.63 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.304 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.0 -45.37 61.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HG2' HD11 ' A' ' 32' ' ' LEU . 55.3 mttt -56.42 -62.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.527 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 92.4 t90 -50.77 -41.46 56.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' LYS . 15.1 mt-10 -61.45 -71.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -36.04 -51.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.3 t90 -71.35 -34.05 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' GLU . 45.6 tptt -60.17 -40.05 88.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.38 -24.43 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.5 mt -90.34 50.94 1.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.37 -49.83 11.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.49 21.93 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -80.73 178.57 8.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -122.8 157.21 60.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.481 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.82 -50.53 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -62.76 -32.64 73.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -75.81 -19.81 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.734 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -86.1 -22.39 27.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.3 mtt -80.12 -45.73 17.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -47.37 -48.07 25.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.656 ' O ' HG12 ' A' ' 83' ' ' VAL . 38.4 mm-40 -76.12 -45.91 31.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.8 t80 -52.21 -32.62 37.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.691 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.3 mt -84.38 -64.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.518 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.49 -56.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.736 HG11 ' CD2' ' A' ' 34' ' ' LEU . 2.1 p -42.97 -56.82 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.1 m -51.26 -26.88 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 82' ' ' ALA . 3.9 mtpm? -72.46 -34.43 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.4 -32.7 68.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 84' ' ' VAL . 8.5 mt -73.98 -40.28 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.553 ' HB2' HD22 ' A' ' 22' ' ' LEU . 8.5 t0 -138.52 104.96 7.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.537 0.684 . . . . 0.0 110.894 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.72 -34.5 14.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.222 . . . . 0.0 112.397 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.41 49.5 2.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.8 t90 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.801 0.334 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.46 -52.56 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.508 ' HG3' HD22 ' A' ' 11' ' ' LEU . 3.1 pt-20 -38.98 -36.48 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.508 HD22 ' HG3' ' A' ' 10' ' ' GLU . 2.7 mm? -77.39 -44.8 28.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.0 t80 -47.71 -34.37 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.25 -53.03 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -58.08 -54.03 51.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -48.5 -50.26 32.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.077 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.91 -46.15 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -24.23 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.568 ' CD2' HD11 ' A' ' 22' ' ' LEU . 3.1 t60 -81.67 -32.21 31.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.0 -46.09 16.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -59.44 -33.12 70.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.23 -13.0 72.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 18' ' ' HIS . 52.9 mt -106.09 14.68 27.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.03 -32.11 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -75.7 -20.99 58.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.78 -12.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.11 135.25 34.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLU . 78.7 p -85.53 145.71 27.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -37.5 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.459 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 22.5 mt-10 -75.5 -48.83 20.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.615 ' NE2' HD21 ' A' ' 87' ' ' LEU . 56.6 mt-30 -56.82 -34.12 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.96 -37.59 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.9 tp -77.06 -39.38 50.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -50.72 -37.3 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.856 HD21 HG11 ' A' ' 83' ' ' VAL . 26.1 mt -82.96 -22.45 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.548 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -68.42 -44.98 73.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.27 -64.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.69 ' O ' HG13 ' A' ' 41' ' ' VAL . 93.3 mtt-85 -54.81 -44.38 73.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 4.6 t80 -62.32 -30.46 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 21.2 mmmt -82.46 -15.65 51.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -89.92 -38.19 13.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.9 m -73.66 -22.66 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -94.37 -50.68 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -91.24 -69.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.22 -149.06 16.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -42.37 123.51 2.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 t -60.51 113.79 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -111.89 -36.25 5.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.2 p -46.64 148.83 1.61 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.577 0.703 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 154.63 67.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -67.55 136.6 93.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.539 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.2 Cg_endo -69.73 169.48 18.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.398 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 t -71.58 150.81 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.68 -41.6 95.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.442 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 6.5 m-85 -66.25 -37.02 84.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -74.06 76.5 1.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -63.29 -55.85 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -38.52 -57.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.43 -15.61 80.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' PHE . 25.9 ttpt -73.64 -46.17 48.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.725 0.298 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -62.34 -44.71 95.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.4 mtpt -61.58 -54.54 41.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.539 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.6 t90 -58.9 -40.3 84.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' LYS . 13.3 mt-10 -61.18 -70.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.0 -48.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.437 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.5 t90 -70.34 -34.49 72.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' GLU . 30.6 tptt -60.92 -41.97 97.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.67 -28.73 22.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.41 51.17 2.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.93 -76.39 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.82 51.79 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -87.05 173.51 9.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -111.98 155.53 43.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.485 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.84 -50.82 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -41.91 98.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -66.82 -19.89 65.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.711 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -88.76 -20.73 24.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 25.1 mtt -83.62 -36.06 24.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -55.01 -50.89 67.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.659 ' O ' HG12 ' A' ' 83' ' ' VAL . 3.9 mm-40 -72.51 -43.79 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 1.5 t80 -56.89 -26.05 58.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.785 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -88.81 -64.5 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.514 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.78 -56.26 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.856 HG11 HD21 ' A' ' 34' ' ' LEU . 1.8 p -44.27 -57.57 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -50.68 -23.78 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -76.25 -33.25 59.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.404 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.71 -32.14 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD21 ' NE2' ' A' ' 30' ' ' GLN . 8.7 mt -73.3 -41.1 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 t70 -137.28 104.98 8.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.5 Cg_endo -69.76 -28.6 25.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.55 52.65 4.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.463 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 19.0 t90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.82 0.343 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -41.17 -56.25 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 5.4 pt-20 -36.22 -52.48 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 4.5 mm? -62.49 -53.05 60.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 78.0 t80 -44.03 -34.78 1.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -70.83 -45.07 65.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -69.7 -55.1 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.82 -47.53 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.62 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.04 77.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.71 -31.69 72.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -44.84 -53.57 7.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -53.17 -27.99 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.57 -12.85 66.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' HG22 ' A' ' 25' ' ' VAL . 32.9 mt -109.79 16.6 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.74 -35.78 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -71.66 -17.14 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 22' ' ' LEU . 21.3 m -108.4 -15.17 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.18 113.82 22.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.6 m -65.33 152.98 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -40.33 -34.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -76.21 -44.55 37.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -54.84 -39.83 68.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.67 -41.97 74.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.721 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -74.87 -48.03 27.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.628 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 33.9 t80 -42.41 -54.31 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.657 ' CD2' HG11 ' A' ' 83' ' ' VAL . 44.6 mt -59.79 -33.63 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 8.3 t80 -68.62 -53.31 23.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.58 -69.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.75 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 23.7 mtm-85 -59.09 -46.13 89.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -50.7 -31.44 16.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 20.9 mmmt -84.12 -28.69 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -71.36 -34.77 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.712 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -73.74 -26.22 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -87.98 -51.25 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.0 t -97.35 -64.97 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.51 -118.29 4.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 9.2 m120 -64.36 135.24 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' ASN . 21.1 t -35.94 105.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 2.4 m-80 -107.08 23.73 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.0 p -136.65 153.85 76.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 111.164 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 159.45 53.33 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 60.7 tttt -72.16 129.51 87.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.542 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.74 148.18 64.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -61.22 170.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -76.22 -36.94 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.98 -32.93 74.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -85.06 79.29 9.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -65.34 -58.51 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' PHE . 33.8 mt-10 -35.01 -59.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.23 -30.91 73.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 32.2 ttpt -51.9 -57.15 10.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.69 ' OE1' HD13 ' A' ' 32' ' ' LEU . 2.9 pt20 -54.46 -43.6 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.721 ' HG2' HD11 ' A' ' 32' ' ' LEU . 18.0 mtpt -55.89 -55.27 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.542 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 70.5 t90 -61.07 -47.21 87.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.92 -65.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.35 -52.65 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.518 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 12.7 t90 -71.93 -26.01 62.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.485 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 30.1 tptt -68.9 -41.63 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.3 -19.79 15.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.94 51.44 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.88 -40.13 52.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.75 38.03 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -93.23 -175.07 3.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.6 m -130.11 157.57 76.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.717 0.77 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -36.72 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -73.0 -20.18 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.75 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -85.61 -26.04 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.566 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 13.1 mtt -77.43 -32.38 54.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -58.81 -49.42 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.649 ' O ' HG12 ' A' ' 83' ' ' VAL . 5.0 mm-40 -72.51 -35.06 68.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 14.1 t80 -64.74 -27.76 69.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.73 ' O ' HG22 ' A' ' 84' ' ' VAL . 9.2 mt -90.0 -66.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.461 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -32.81 -55.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.675 HG13 ' H ' ' A' ' 84' ' ' VAL . 2.5 p -44.54 -58.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -49.58 -25.69 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -81.03 -31.45 34.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -68.51 -26.59 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -86.97 -46.14 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.416 ' HB2' HD22 ' A' ' 22' ' ' LEU . 9.8 t70 -121.68 91.13 48.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.815 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.77 9.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.44 45.76 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 14.7 t90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.898 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -67.09 -52.95 35.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.8 mm-40 -38.4 -50.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -61.35 -37.12 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.567 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 53.5 t80 -61.97 -30.05 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.77 -47.25 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' HE3' HD12 ' A' ' 11' ' ' LEU . 34.2 mtmt -71.51 -56.51 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -40.13 -39.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.05 -45.19 71.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.85 -25.63 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.541 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.9 t60 -78.84 -33.37 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD21 HD13 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.18 -45.65 16.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -62.03 -27.91 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.71 -14.32 63.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.541 HD11 ' CD2' ' A' ' 18' ' ' HIS . 23.4 mt -108.15 17.94 21.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.434 ' CD1' HD11 ' A' ' 31' ' ' LEU . 13.7 mm -67.65 -37.67 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -71.21 -20.34 62.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.2 m -103.5 -13.93 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.45 142.14 27.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' GLN . 73.3 m -91.37 145.08 24.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' SER . 11.2 ptp180 -35.37 -40.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mp0 -64.74 -46.77 80.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' SER . 76.1 mt-30 -60.33 -42.24 95.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.437 HD13 HD21 ' A' ' 19' ' ' LEU . 4.3 mm? -53.55 -34.72 59.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.632 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -81.29 -43.51 19.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -47.03 -34.75 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.953 HD21 HG11 ' A' ' 83' ' ' VAL . 15.1 mt -82.79 -24.29 33.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -69.14 -42.35 76.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 65' ' ' TRP . . . -62.72 -62.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.693 ' O ' HG13 ' A' ' 41' ' ' VAL . 16.5 mtp85 -50.27 -49.82 52.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 4.5 t80 -54.91 -40.28 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -76.02 -15.35 60.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -88.51 -35.24 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.907 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.0 m -76.98 -25.11 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -90.48 -52.13 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.25 -68.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.56 -132.06 9.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.33 118.33 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.0 t -38.49 125.37 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -130.53 33.67 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.1 p -130.51 150.29 75.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.529 0.68 . . . . 0.0 111.169 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 150.14 67.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 54.5 tttt -62.76 131.03 94.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.532 0.682 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.538 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.77 142.41 47.81 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.722 2.281 . . . . 0.0 112.344 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -50.28 149.53 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -56.18 -43.29 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.497 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 m-85 -57.07 -47.01 82.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.42 78.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -67.46 -57.14 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.1 mt-10 -37.82 -52.77 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.97 -19.7 77.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' PHE . 32.6 ttpt -69.2 -55.5 10.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.736 0.303 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -53.03 -47.39 68.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.632 ' HG2' HD11 ' A' ' 32' ' ' LEU . 21.6 mtpt -61.96 -43.86 97.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.538 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 85.9 t90 -62.31 -46.54 88.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -58.53 -62.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.06 -59.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.055 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.406 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 16.0 t90 -63.59 -40.75 97.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -53.08 -51.85 60.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.34 -28.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.2 mt -87.59 50.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.36 -54.59 28.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -103.86 38.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -82.8 -178.85 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m -124.99 152.98 71.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -66.21 -36.73 83.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -72.33 -21.9 61.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.907 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -80.54 -28.06 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 13.8 mtt -78.91 -30.3 44.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.09 -54.19 47.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 83' ' ' VAL . 38.5 mm-40 -75.53 -39.34 58.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 17.8 t80 -53.77 -37.76 63.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.744 ' O ' HG22 ' A' ' 84' ' ' VAL . 8.9 mt -82.59 -61.54 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.92 -56.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.953 HG11 HD21 ' A' ' 34' ' ' LEU . 2.5 p -44.27 -57.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -49.82 -25.23 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -81.2 -33.99 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -65.65 -26.5 67.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.418 HD21 HE22 ' A' ' 30' ' ' GLN . 0.8 OUTLIER -86.73 -42.57 13.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HB2' HD22 ' A' ' 22' ' ' LEU . 11.6 t70 -132.19 92.33 29.25 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.833 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -15.27 36.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.46 26.09 5.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.418 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 25.5 t90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.616 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -76.27 -51.67 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.584 ' HG3' HD22 ' A' ' 11' ' ' LEU . 3.8 pt-20 -35.38 -38.92 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.584 HD22 ' HG3' ' A' ' 10' ' ' GLU . 3.7 mm? -75.53 -44.09 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 88.7 t80 -46.34 -38.99 9.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.07 -56.95 6.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -51.3 -53.17 38.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.77 -51.92 35.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.91 -47.2 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.48 69.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -76.4 -31.2 57.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 34' ' ' LEU . 1.1 tt -46.41 -48.63 18.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -55.14 -29.22 57.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.7 -14.93 62.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 88' ' ' ASP . 23.6 mt -106.44 15.27 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.95 -32.55 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.41 -21.31 56.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 23.4 m -102.66 -14.42 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -87.27 128.15 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' GLN . 62.7 m -81.33 150.07 28.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -37.78 -40.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.74 -44.39 73.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' SER . 17.0 mm-40 -58.9 -42.36 89.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.447 HD22 ' HB1' ' A' ' 26' ' ' ALA . 3.8 mm? -50.83 -43.74 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.1 tp -69.45 -54.32 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.638 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 29.9 t80 -35.63 -56.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.643 ' CD2' HG11 ' A' ' 83' ' ' VAL . 26.2 mt -58.41 -37.04 74.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.2 t80 -66.42 -47.09 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -47.63 -66.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.794 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 20.3 mtm-85 -63.14 -52.0 64.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.51 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 2.9 t80 -44.92 -41.58 7.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 17.0 mmmt -76.92 -24.89 52.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 37' ' ' ARG . 33.1 tp60 -76.33 -36.74 58.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.682 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 3.1 m -77.01 -22.95 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -90.33 -43.54 10.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 t -102.1 -66.91 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.71 -122.11 4.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -61.1 133.34 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.6 t -77.05 53.68 0.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -53.9 -29.25 41.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 p -44.83 149.94 0.77 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 147.95 64.05 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 72.7 tttt -64.95 135.14 96.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.548 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.76 155.16 66.67 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.316 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -69.42 151.75 45.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -54.22 -39.47 66.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -57.21 -61.49 2.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.79 86.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -69.77 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.5 mt-10 -35.17 -45.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.5 -36.59 43.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 19.5 ttpp -47.87 -65.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.483 ' OE1' HD13 ' A' ' 32' ' ' LEU . 4.1 pt20 -50.09 -44.87 52.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -54.58 -49.97 69.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.548 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 79.9 t90 -63.21 -46.06 88.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.13 -66.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.499 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -38.4 -53.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.444 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 14.0 t90 -70.3 -32.86 70.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -60.88 -51.04 70.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.26 -35.88 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.4 mt -83.47 53.23 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.34 -64.98 2.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.63 20.19 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.5 p -71.5 -176.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -123.02 159.64 53.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.648 0.737 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.43 ' HA ' HG12 ' A' ' 41' ' ' VAL . 54.3 Cg_endo -69.71 -50.99 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.284 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 t -62.17 -48.13 81.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -58.97 -15.67 14.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.794 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -92.34 -29.26 16.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.525 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 16.2 mtt -76.69 -26.72 55.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.25 -45.46 91.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.703 ' O ' HG12 ' A' ' 83' ' ' VAL . 6.5 mm-40 -77.84 -36.04 50.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 24.8 t80 -60.0 -27.35 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -89.7 -65.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.531 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.67 -56.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 79' ' ' GLU . 2.3 p -43.58 -58.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -50.45 -24.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mtpm? -75.51 -39.67 58.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.531 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -64.99 -30.86 71.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.487 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 5.0 mt -80.22 -34.27 37.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' HB2' HD22 ' A' ' 22' ' ' LEU . 15.7 t0 -133.56 93.44 21.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -101.96 48.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.4 t90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.941 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -66.79 -56.27 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.694 ' HG3' HD22 ' A' ' 11' ' ' LEU . 9.7 pt-20 -38.07 -45.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.694 HD22 ' HG3' ' A' ' 10' ' ' GLU . 1.5 mm? -68.06 -37.87 81.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.544 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 83.1 t80 -57.67 -31.84 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.9 -50.09 16.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -57.53 -53.93 52.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.56 -47.65 49.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.59 -47.57 19.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.18 68.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -78.08 -31.38 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.76 -50.45 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.13 -24.42 54.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.92 -12.69 60.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 88' ' ' ASP . 23.7 mt -109.71 14.18 23.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -60.68 -33.59 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -71.34 -23.22 61.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 30.6 m -103.98 -13.42 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.93 112.01 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -68.64 155.1 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.08 -37.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.78 -50.41 36.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' NE2' HD21 ' A' ' 87' ' ' LEU . 17.6 mm-40 -50.76 -41.35 56.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.11 -46.15 72.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.613 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.7 tp -69.21 -53.39 20.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.647 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 18.8 t80 -36.91 -56.05 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.757 HD21 HG11 ' A' ' 83' ' ' VAL . 56.9 mt -61.51 -32.7 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.504 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 5.2 t80 -69.41 -43.75 72.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.23 -64.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.781 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 28.5 mtm-85 -64.33 -43.05 95.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 2.9 t80 -53.0 -36.1 60.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 22.0 mmmt -80.17 -27.15 39.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -73.64 -29.3 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.71 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -85.15 -28.5 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -86.82 -41.26 14.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.2 t -98.97 -65.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.62 -143.67 17.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ASN . 28.0 t-20 -50.05 116.85 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' ASN . 5.8 t -37.34 95.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASN . 5.3 p-10 -107.86 26.8 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 p -117.7 153.7 50.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 148.93 66.48 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 26.9 ttmt -70.93 138.81 85.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.72 162.12 43.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -66.78 171.01 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -75.76 -36.99 59.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.423 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 15.9 m-85 -70.75 -41.04 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.84 80.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -68.38 -57.33 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.8 mt-10 -36.67 -52.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.31 -26.45 65.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' PHE . 22.8 ttpp -55.23 -59.25 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.35 -49.23 61.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.613 ' HG2' HD11 ' A' ' 32' ' ' LEU . 19.8 mtpt -50.53 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 88.0 t90 -51.38 -37.9 50.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' ALA . 20.6 mt-10 -64.09 -71.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.26 -53.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -66.9 -43.97 82.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -50.34 -48.24 55.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.66 -27.44 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.72 49.73 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.83 -64.84 3.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -102.48 45.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -98.76 130.91 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -67.04 157.9 83.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.5 t -57.93 -49.22 77.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -55.38 -24.52 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -83.59 -31.09 26.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.544 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 15.0 mtt -75.22 -29.24 60.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.2 -49.61 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.771 ' O ' HG12 ' A' ' 83' ' ' VAL . 23.6 mt-10 -74.71 -33.78 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 8.1 t80 -63.02 -29.72 71.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.776 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -87.49 -66.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.579 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.81 -56.83 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.771 HG12 ' O ' ' A' ' 79' ' ' GLU . 2.0 p -43.54 -59.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -49.49 -23.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -76.85 -40.0 49.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.579 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -63.58 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 84' ' ' VAL . 6.0 mt -78.17 -40.29 38.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.572 ' HB2' HD22 ' A' ' 22' ' ' LEU . 18.9 t0 -134.54 94.55 17.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.74 -13.5 34.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.388 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.44 41.31 3.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.2 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.857 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.531 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -69.7 -52.34 26.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' ALA . 3.4 pt-20 -35.61 -41.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.2 mm? -75.57 -45.78 35.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.518 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 79.8 t80 -46.23 -28.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -76.27 -53.76 7.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -59.28 -48.68 80.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.29 -50.96 36.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.74 -39.86 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.44 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.465 ' CD2' HD11 ' A' ' 22' ' ' LEU . 8.7 t60 -76.29 -31.04 58.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.94 -48.28 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -55.23 -31.93 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.4 -11.29 72.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 88' ' ' ASP . 50.9 mt -106.3 13.86 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.751 0.31 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.603 HD12 HD11 ' A' ' 31' ' ' LEU . 40.6 mm -65.97 -35.71 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.66 -18.93 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -110.76 -10.32 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.39 122.94 37.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ARG . 26.4 m -78.01 154.22 31.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 27' ' ' SER . 10.1 ptt85 -36.84 -51.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -56.37 -45.13 80.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.499 HE21 HD21 ' A' ' 87' ' ' LEU . 14.9 mm-40 -55.49 -51.81 65.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 23' ' ' ILE . 4.1 mm? -48.32 -42.84 32.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -71.23 -52.68 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -40.15 -40.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.787 HD21 HG11 ' A' ' 83' ' ' VAL . 17.8 mt -77.15 -31.62 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.8 t80 -62.91 -58.66 6.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CD1' ' A' ' 35' ' ' TYR . . . -44.76 -68.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.763 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 15.9 mtt-85 -46.39 -50.74 16.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.41 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.8 t80 -50.22 -48.13 54.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -67.91 -16.85 64.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -84.7 -44.47 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.674 HG12 ' HB3' ' A' ' 76' ' ' ALA . 3.4 m -69.89 -26.74 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -86.22 -52.88 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 t -90.01 -66.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.39 -141.88 13.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -55.3 115.29 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.6 t -39.35 126.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -126.15 -34.45 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.3 p -48.64 149.18 3.12 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.609 0.718 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 147.54 63.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 51.5 tttt -60.45 131.38 90.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.54 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.76 156.81 62.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.645 2.23 . . . . 0.0 112.358 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -61.47 164.86 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -74.35 -44.01 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -67.7 -13.62 62.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.39 72.15 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -65.38 -54.74 24.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' PHE . 39.9 mt-10 -35.71 -44.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.79 -20.28 37.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' PHE . 26.9 ttpt -63.64 -67.9 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -39.36 -48.6 1.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 25.2 mtpt -53.88 -57.89 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.545 ' CH2' ' HD3' ' A' ' 66' ' ' LYS . 63.1 t90 -49.94 -61.34 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' LYS . 29.8 mt-10 -42.13 -65.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -41.22 -49.29 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.495 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 16.5 t90 -74.84 -21.31 59.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 14.4 tptm -74.75 -48.06 27.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.3 -27.3 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.56 50.3 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.66 -48.92 46.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -109.02 37.45 2.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.32 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 p -93.08 -178.62 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -126.68 158.83 66.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -50.61 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.73 -32.78 74.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -73.54 -21.1 60.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.763 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -84.12 -26.7 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.466 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 12.4 mtt -75.95 -34.7 59.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.01 -58.86 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.642 ' O ' HG12 ' A' ' 83' ' ' VAL . 12.7 mt-10 -67.28 -33.11 74.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 6.2 t80 -63.09 -30.59 71.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.848 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -87.28 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.499 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.7 -55.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.787 HG11 HD21 ' A' ' 34' ' ' LEU . 2.2 p -44.95 -58.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.7 m -49.56 -22.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.072 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -79.3 -41.44 28.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -61.62 -28.68 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 84' ' ' VAL . 3.3 mt -81.1 -41.53 22.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.586 ' HB2' HD22 ' A' ' 22' ' ' LEU . 31.5 t70 -131.53 93.44 28.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.7 Cg_endo -69.77 -7.07 20.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.13 35.92 4.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.4 t90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.11 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HG3' HD22 ' A' ' 11' ' ' LEU . 3.0 pt-20 -42.28 -37.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.577 HD22 ' HG3' ' A' ' 10' ' ' GLU . 3.0 mm? -80.3 -42.04 23.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.54 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 72.0 t80 -49.59 -41.16 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.74 -55.33 20.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -55.55 -57.24 12.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.2 -49.04 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.6 -46.71 19.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.31 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.45 -32.26 68.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tt -45.79 -52.06 11.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -54.49 -29.43 50.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.54 -12.89 66.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.562 HD22 ' HB2' ' A' ' 88' ' ' ASP . 27.7 mt -107.89 16.85 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.8 mm -68.61 -33.86 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.16 -16.89 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -107.69 -19.41 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.83 149.02 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ARG . 26.6 m -103.88 154.28 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' SER . 13.9 ptp180 -34.93 -43.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.26 -63.63 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -43.72 -50.13 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -46.55 -34.08 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -84.61 -46.8 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -46.79 -37.47 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.779 HD21 HG11 ' A' ' 83' ' ' VAL . 19.7 mt -81.02 -23.62 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.55 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.2 t80 -72.89 -45.9 55.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.553 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -60.08 -64.7 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.706 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 14.6 mtp85 -49.65 -42.82 46.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 5.6 t80 -59.08 -45.02 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -71.25 -13.88 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 40.5 tp60 -87.01 -40.26 14.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 37' ' ' ARG . 2.1 m -71.08 -25.86 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -89.45 -51.82 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 t -87.42 -68.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.25 -102.35 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -81.37 111.95 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.9 t -41.48 113.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.78 37.31 4.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 p -121.76 146.72 46.48 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.56 0.695 . . . . 0.0 111.172 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.42 48.0 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -54.03 129.74 58.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.79 155.08 66.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.301 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -54.8 156.84 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -68.29 -42.69 79.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.501 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 9.9 m-85 -66.03 -33.24 75.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.1 76.41 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.501 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -66.3 -57.28 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -38.14 -46.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.66 -22.63 59.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 56' ' ' PHE . 25.1 ttpp -67.04 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -39.35 -50.65 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 84.4 mttt -57.17 -62.38 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 85.6 t90 -43.97 -44.22 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 66' ' ' LYS . 18.0 mt-10 -60.38 -68.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -34.12 -53.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -71.27 -37.4 71.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' GLU . 20.2 tptt -55.72 -39.74 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.95 73.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.474 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 10.9 mt -80.13 53.44 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.46 -26.46 47.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -123.43 25.42 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -90.8 -175.65 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -123.67 158.58 58.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.53 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -63.52 -37.37 87.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -69.57 -20.64 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.706 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -83.02 -29.59 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.558 ' HB2' HD12 ' A' ' 8' ' ' LEU . 31.1 mtt -74.57 -34.73 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.24 -56.19 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.74 ' O ' HG12 ' A' ' 83' ' ' VAL . 5.3 mm-40 -71.59 -34.98 70.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.8 t80 -60.03 -31.92 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.77 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.5 mt -85.76 -64.9 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.72 -56.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.779 HG11 HD21 ' A' ' 34' ' ' LEU . 2.1 p -44.0 -57.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -51.21 -23.81 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -76.07 -38.0 57.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.431 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.62 -31.0 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 84' ' ' VAL . 5.3 mt -75.46 -46.04 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.562 ' HB2' HD22 ' A' ' 22' ' ' LEU . 23.0 t70 -127.95 101.85 22.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.621 0.724 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.6 Cg_endo -69.82 -18.51 36.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.313 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.57 50.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 17.0 t90 . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.432 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.809 0.337 . . . . 0.0 110.921 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -48.03 -60.3 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . 29.1 mm-40 -35.2 -53.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' PHE . 1.6 mm? -63.88 -53.15 54.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.691 ' N ' HD11 ' A' ' 81' ' ' ILE . 67.4 t80 -36.42 -36.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.47 -54.77 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -48.86 -51.95 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.3 -50.37 67.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.1 -45.94 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -29.48 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.464 ' CD2' HD11 ' A' ' 22' ' ' LEU . 9.6 t60 -76.6 -29.89 56.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.5 -47.49 27.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -57.11 -27.03 61.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.44 -11.97 63.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 88' ' ' ASP . 25.6 mt -108.86 13.45 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.42 HD13 HD11 ' A' ' 31' ' ' LEU . 19.4 mm -63.19 -34.77 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -72.07 -22.22 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -103.73 -13.06 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.19 123.28 39.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 p -74.79 156.88 36.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 29' ' ' GLU . 3.0 ppt_? -43.61 -34.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 27.0 mt-10 -72.37 -44.87 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.57 -35.99 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.42 HD11 HD13 ' A' ' 23' ' ' ILE . 3.8 mm? -62.57 -34.47 77.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 64' ' ' ALA . 1.7 tp -78.33 -42.93 29.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -49.24 -38.94 28.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.053 HD21 HG11 ' A' ' 83' ' ' VAL . 22.3 mt -83.39 -20.18 34.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 2.7 t80 -76.12 -48.16 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 65' ' ' TRP . . . -57.79 -61.02 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.746 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 36.7 mtt-85 -53.45 -44.56 68.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -56.43 -33.89 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -80.91 -20.34 42.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 5.0 tp-100 -80.79 -32.2 35.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 37' ' ' ARG . 2.8 m -81.43 -22.87 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -97.18 -52.65 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 t -86.22 -68.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.91 -147.51 18.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -44.56 125.99 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.6 t -46.17 118.54 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.27 39.73 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.4 p -136.03 152.88 76.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.633 0.73 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 148.39 64.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -68.44 138.14 91.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' CG ' ' HA ' ' A' ' 59' ' ' LYS . 53.8 Cg_endo -69.7 164.96 32.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -85.04 147.19 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -46.08 -40.49 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -57.97 -55.28 36.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.7 83.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -67.92 -60.27 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' PHE . 25.5 mt-10 -36.52 -44.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.41 -30.65 48.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' PHE . 21.1 ttpp -53.79 -64.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -50.91 -46.85 60.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -53.82 -60.1 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.468 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 80.4 t90 -53.73 -45.0 70.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 66' ' ' LYS . 32.5 mt-10 -58.69 -69.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 32' ' ' LEU . . . -35.92 -52.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.461 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 15.3 t90 -72.28 -31.01 65.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 63' ' ' GLU . 42.9 tptt -62.64 -40.69 97.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.04 -30.72 60.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 55.6 mt -84.76 52.35 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.04 -75.48 0.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -112.23 51.17 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 m -90.85 135.03 34.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -63.0 154.0 78.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.427 ' O ' HG12 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.78 -50.15 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 p -58.58 -48.79 79.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -55.8 -21.5 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.746 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -87.17 -30.95 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.488 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 6.1 mtt -74.02 -32.73 63.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.21 -45.97 86.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.824 ' O ' HG12 ' A' ' 83' ' ' VAL . 59.7 mm-40 -76.99 -42.97 36.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 2.4 t80 -54.46 -32.49 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.82 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.7 mt -86.55 -65.7 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.538 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.82 -56.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.053 HG11 HD21 ' A' ' 34' ' ' LEU . 2.3 p -44.72 -58.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.5 m -48.36 -22.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -79.76 -35.78 38.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.459 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.68 -29.42 69.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -79.92 -39.67 29.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.497 ' HB2' HD22 ' A' ' 22' ' ' LEU . 26.1 t0 -134.12 92.13 22.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.919 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.67 2.82 3.14 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.78 33.73 6.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.3 t90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.896 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.475 HD21 ' HG2' ' A' ' 78' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -46.69 -53.12 12.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -35.94 -58.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -56.97 -54.43 46.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 38' ' ' TYR . 83.8 t80 -34.28 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' LEU . 10.4 mm-40 -76.72 -46.07 26.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.77 -56.54 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.561 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -42.33 -41.4 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.86 65.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -31.94 73.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.434 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.0 t60 -71.3 -33.59 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.455 HD21 HD13 ' A' ' 31' ' ' LEU . 1.5 tt -44.13 -53.34 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -55.18 -27.48 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.89 -11.52 67.72 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 88' ' ' ASP . 29.8 mt -111.32 15.84 21.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.542 ' CD1' HD11 ' A' ' 31' ' ' LEU . 20.6 mm -64.07 -33.42 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -74.0 -21.09 60.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 27.5 m -104.39 -15.09 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.03 128.6 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 28' ' ' ARG . 65.3 m -77.2 146.61 36.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' SER . 3.5 ptp180 -35.34 -41.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.46 -50.81 63.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' SER . 20.1 mt-30 -52.24 -43.43 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.542 HD11 ' CD1' ' A' ' 23' ' ' ILE . 4.3 mm? -51.21 -42.03 60.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.8 tp -74.86 -46.03 39.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -43.59 -39.91 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.915 HD21 HG11 ' A' ' 83' ' ' VAL . 19.9 mt -77.12 -28.37 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.7 t80 -67.92 -49.45 61.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.69 -66.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.566 ' O ' HG13 ' A' ' 41' ' ' VAL . 19.1 mtp85 -47.33 -51.36 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 17.9 t80 -52.76 -44.5 66.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -71.91 -13.01 61.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -89.02 -40.91 12.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.865 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.7 m -70.48 -25.78 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -89.68 -48.59 7.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.8 t -94.95 -65.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.88 -128.12 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -59.08 114.58 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.4 t -56.94 97.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -89.07 -38.71 14.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.7 p -40.19 146.17 0.43 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 154.95 67.02 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.276 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 60.0 tttt -62.55 134.3 95.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.533 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.73 171.15 14.96 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -71.47 153.09 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -63.86 -40.27 96.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.83 -42.12 81.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -67.53 80.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -65.93 -61.12 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' PHE . 24.9 mt-10 -34.93 -51.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.52 -33.68 47.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 28.7 ttpp -56.16 -64.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.714 0.293 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -47.4 -42.35 21.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -60.19 -56.37 22.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.548 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 86.6 t90 -55.55 -46.5 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' LYS . 19.2 mt-10 -55.19 -68.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -38.97 -50.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.489 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 14.9 t90 -74.8 -24.82 58.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.548 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.0 tptt -70.32 -45.23 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.1 -20.08 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.82 51.2 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.89 -50.17 49.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -109.09 40.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 m -88.69 -178.28 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -125.57 156.15 71.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.708 0.766 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.13 -40.79 90.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.39 -24.92 65.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.865 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -80.65 -25.23 38.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.504 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.7 mtm -82.26 -27.99 32.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.475 ' HG2' HD21 ' A' ' 8' ' ' LEU . 34.3 mt-30 -60.58 -52.33 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 83' ' ' VAL . 77.8 mm-40 -76.22 -33.96 59.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.4 t80 -61.59 -36.34 80.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.605 HD11 ' N ' ' A' ' 12' ' ' PHE . 5.3 mt -82.79 -62.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.48 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.51 -57.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.915 HG11 HD21 ' A' ' 34' ' ' LEU . 2.2 p -39.47 -59.74 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.7 ' H ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -48.78 -32.51 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 82' ' ' ALA . 6.3 mtmt -74.13 -34.42 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -64.2 -29.09 70.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.62 -42.14 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.516 ' HB2' HD22 ' A' ' 22' ' ' LEU . 15.4 t70 -134.51 95.21 16.32 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.809 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.0 Cg_endo -69.8 -20.28 34.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.01 40.9 3.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 6.4 t90 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.855 0.36 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -56.72 -53.87 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.444 ' HG3' HD22 ' A' ' 11' ' ' LEU . 2.1 pt-20 -35.63 -39.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.444 HD22 ' HG3' ' A' ' 10' ' ' GLU . 4.1 mm? -74.07 -46.69 41.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 81.5 t80 -45.1 -37.77 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.67 -55.94 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -56.73 -55.49 33.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.72 -51.1 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.39 -44.04 34.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.56 75.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.6 t60 -71.16 -35.41 71.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 34' ' ' LEU . 2.2 tt -41.45 -52.95 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -50.74 -34.37 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -83.75 -14.72 72.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.537 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 88' ' ' ASP . 36.2 mt -106.32 13.87 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.336 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.7 mm -64.52 -30.43 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.04 -21.0 55.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 22' ' ' LEU . 27.4 m -101.93 -16.59 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.33 131.49 37.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' GLN . 1.5 m -84.04 151.75 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.795 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.0 ptp180 -36.37 -45.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.833 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.19 -42.71 96.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.574 HE22 HD21 ' A' ' 87' ' ' LEU . 10.0 mt-30 -60.92 -36.08 78.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.18 -47.0 86.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.4 tp -63.75 -50.64 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.727 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 28.7 t80 -41.8 -45.88 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.87 HD23 ' NH2' ' A' ' 37' ' ' ARG . 30.0 mt -70.84 -27.21 63.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 5.4 t80 -72.85 -53.84 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.67 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.08 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.87 ' NH2' HD23 ' A' ' 34' ' ' LEU . 80.1 mtm180 -51.27 -50.88 58.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.414 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 10.1 t80 -47.56 -31.2 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -82.32 -30.14 30.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -75.92 -27.39 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.754 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 3.2 m -87.48 -26.31 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 43.0 mmtt -93.26 -52.32 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.1 t -82.29 -69.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.42 -118.38 2.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' ASN . 12.3 m120 -80.29 123.98 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.9 t -53.89 85.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' ASN . 10.0 p30 -99.48 30.87 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 p -111.27 148.69 39.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 111.174 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 155.16 66.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.236 . . . . 0.0 112.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -67.6 128.44 93.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.541 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.76 136.04 31.98 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -48.96 142.39 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 53' ' ' PHE . 5.4 t80 -50.16 -37.94 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 4.0 m-85 -57.52 -42.84 83.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -77.43 83.19 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -71.05 -58.47 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' PHE . 25.4 mt-10 -36.95 -42.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.66 -27.34 32.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 56' ' ' PHE . 22.5 ttpp -54.19 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 110.836 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -40.45 -55.67 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 7.0 mttp -49.27 -65.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.541 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 68.0 t90 -41.96 -47.87 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' LYS . 35.7 mt-10 -60.91 -71.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.48 -51.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.455 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.2 t90 -70.78 -33.7 71.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' GLU . 41.6 tptt -60.53 -44.61 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.25 -30.02 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.1 mt -81.31 52.91 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.12 -76.3 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -104.33 52.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.2 m -93.26 147.79 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -87.28 158.28 52.42 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.708 0.766 . . . . 0.0 110.818 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -50.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -34.87 74.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.38 -23.38 63.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.796 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -86.64 -26.82 24.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.551 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 13.6 mtt -80.18 -35.48 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.12 -53.19 54.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.508 ' C ' ' NH1' ' A' ' 37' ' ' ARG . 6.3 mm-40 -75.48 -38.94 59.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.55 ' N ' ' NH1' ' A' ' 37' ' ' ARG . 6.5 t80 -50.7 -32.71 20.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.736 ' O ' HG22 ' A' ' 84' ' ' VAL . 9.4 mt -84.78 -60.57 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.91 -57.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.758 HG11 HD21 ' A' ' 34' ' ' LEU . 2.8 p -44.04 -57.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -49.19 -25.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.185 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -80.64 -34.33 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -65.75 -25.75 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.574 HD21 HE22 ' A' ' 30' ' ' GLN . 0.5 OUTLIER -90.02 -40.77 12.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.538 ' HB2' HD22 ' A' ' 22' ' ' LEU . 15.8 t0 -132.32 92.21 29.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.635 0.731 . . . . 0.0 110.862 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -27.13 26.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.23 44.42 2.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 14.3 t90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.955 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -52.9 -61.78 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' ALA . 56.4 mm-40 -35.42 -58.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.511 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.9 mm? -52.99 -54.84 29.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.553 ' N ' HD11 ' A' ' 81' ' ' ILE . 91.3 t80 -40.19 -29.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -74.93 -49.39 20.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -54.34 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -45.19 -49.76 11.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.19 -49.59 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.7 -32.54 67.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.7 ' CD2' HD11 ' A' ' 22' ' ' LEU . 3.6 t60 -70.45 -34.5 72.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.97 -53.74 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -53.97 -30.5 47.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.49 -13.49 65.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.7 HD11 ' CD2' ' A' ' 18' ' ' HIS . 44.7 mt -107.69 17.43 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.318 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -66.67 -41.44 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -65.51 -18.75 65.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 22' ' ' LEU . 34.3 m -106.03 -20.64 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.28 125.05 32.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' GLN . 52.8 m -75.8 150.14 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 10.1 ptp180 -38.06 -41.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 10.6 mt-10 -69.53 -41.77 75.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.513 HE22 HD21 ' A' ' 87' ' ' LEU . 29.6 mt-30 -59.57 -29.49 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -41.7 81.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.26 -41.08 77.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -50.21 -42.74 52.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.046 HD21 HG11 ' A' ' 83' ' ' VAL . 25.9 mt -80.63 -15.78 55.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -76.98 -41.28 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.472 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -66.41 -62.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.624 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 21.0 mtp85 -51.42 -46.92 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 4.0 t80 -59.67 -38.96 82.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -73.82 -12.83 60.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -90.97 -46.9 7.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.64 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 4.4 m -64.71 -21.53 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -94.77 -51.84 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -91.03 -60.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.27 -138.91 12.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 69' ' ' GLY . 1.2 m120 -63.39 115.94 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ASN . 7.7 t -35.92 119.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.7 38.4 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.1 p -130.57 144.42 53.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.85 63.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -53.46 127.8 50.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.536 0.684 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.546 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.7 159.06 54.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.268 . . . . 0.0 112.376 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -52.4 156.26 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 16.2 t80 -70.13 -19.1 63.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -79.39 -57.56 3.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -58.46 86.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -67.93 -56.11 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' PHE . 26.0 mt-10 -37.61 -47.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.95 -31.67 47.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' PHE . 18.3 ttpp -58.06 -66.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -44.81 -47.53 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 87.6 mttt -59.74 -56.87 16.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.546 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 53.1 t90 -45.24 -51.44 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LYS . 38.9 mt-10 -59.13 -66.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -36.73 -53.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.7 t90 -71.52 -31.28 66.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' GLU . 48.6 tptt -62.43 -48.18 80.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.27 -32.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.4 mt -83.81 50.07 1.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.495 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -52.01 -73.83 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.469 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.63 51.35 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -99.13 149.52 22.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -80.43 157.79 72.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.512 ' O ' HG12 ' A' ' 41' ' ' VAL . 53.1 Cg_endo -69.83 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 p -58.17 -45.03 88.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -59.06 -22.76 61.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -87.23 -27.78 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.85 -25.64 40.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.06 -46.4 89.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.682 ' O ' HG12 ' A' ' 83' ' ' VAL . 9.1 mm-40 -78.99 -41.94 27.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 2.6 t80 -52.47 -33.71 45.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.787 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -84.92 -63.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.461 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.69 -56.88 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.046 HG11 HD21 ' A' ' 34' ' ' LEU . 2.3 p -44.33 -57.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.787 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -49.67 -23.79 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -77.99 -36.35 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -67.61 -28.61 67.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.513 HD21 HE22 ' A' ' 30' ' ' GLN . 3.3 mt -81.82 -43.04 18.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 16.9 t70 -131.55 96.97 19.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.3 Cg_endo -69.65 -19.44 36.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.716 2.277 . . . . 0.0 112.41 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.92 42.49 3.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.417 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 29.0 t90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.72 -43.24 72.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.461 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 4.6 pt-20 -46.57 -42.81 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 4.3 mm? -68.5 -48.56 64.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 92.5 t80 -43.75 -39.91 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.06 -56.31 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -54.07 -56.62 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.6 -45.89 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.55 -46.58 57.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.3 72.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -73.89 -31.58 63.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -45.42 -51.51 11.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -55.04 -27.71 46.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.33 -14.95 63.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CA ' HG22 ' A' ' 25' ' ' VAL . 19.1 mt -107.46 19.62 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -68.27 -35.48 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.77 -19.17 59.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.435 HG22 ' CA ' ' A' ' 22' ' ' LEU . 32.6 m -103.46 -18.14 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.74 126.17 34.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' GLN . 3.4 t -74.6 148.7 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -38.03 -35.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -73.68 -43.37 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.606 ' NE2' HD21 ' A' ' 87' ' ' LEU . 67.2 mt-30 -59.7 -33.15 71.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.52 -37.08 82.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.696 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.3 tp -76.67 -51.92 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.645 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 44.1 t80 -37.46 -52.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.66 ' CD2' HG11 ' A' ' 83' ' ' VAL . 54.6 mt -58.67 -36.55 74.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 7.5 t80 -65.95 -53.24 41.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -40.62 -71.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.753 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 19.5 mtm-85 -58.85 -48.34 81.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.7 t80 -47.28 -33.06 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 15.1 mmmt -82.9 -31.03 28.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -70.62 -30.7 67.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.813 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.9 m -77.26 -22.83 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -93.16 -50.63 5.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -91.18 -70.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.52 -125.56 5.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -61.96 112.98 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 t -47.11 95.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -104.57 37.24 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 p -121.8 150.88 56.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 151.77 69.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.226 . . . . 0.0 112.371 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 54.4 tttt -64.76 135.05 96.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.543 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.8 150.53 68.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 t -65.15 156.05 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.99 -48.07 79.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.477 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 6.0 m-85 -50.71 -49.5 57.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.14 75.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -64.14 -54.27 36.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -42.55 -56.7 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.42 -27.62 73.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 22.5 ttpt -56.13 -58.6 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.72 0.295 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -54.02 -47.41 71.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.696 ' HG2' HD11 ' A' ' 32' ' ' LEU . 27.7 mtpt -54.29 -60.43 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.543 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.7 t90 -50.19 -42.04 50.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -60.53 -66.92 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -41.38 -53.27 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -68.21 -34.19 75.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -60.86 -39.1 87.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.08 65.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -87.88 54.72 3.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.62 -38.35 28.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.446 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -113.71 34.74 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -95.06 -179.65 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -125.67 161.18 52.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -70.93 -21.81 62.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.813 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -82.15 -28.62 32.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 26.8 mtt -75.43 -36.71 60.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -53.25 -44.19 67.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.637 ' O ' HG12 ' A' ' 83' ' ' VAL . 41.0 mt-10 -81.04 -36.54 30.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 29.2 t80 -61.07 -29.07 69.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.613 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.0 mt -88.05 -65.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.172 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.634 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.62 -57.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.695 HG13 ' H ' ' A' ' 84' ' ' VAL . 1.8 p -38.53 -60.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.695 ' H ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -49.34 -31.76 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' ALA . 44.5 mtpt -67.41 -33.47 75.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.634 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.25 -37.25 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.606 HD21 ' NE2' ' A' ' 30' ' ' GLN . 12.0 mt -68.03 -51.27 48.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.415 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 26.3 t70 -117.7 95.63 48.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.9 Cg_endo -69.78 1.75 4.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.42 21.98 25.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TRP . . . . . 0.461 ' CZ3' ' CG2' ' A' ' 84' ' ' VAL . 24.2 t90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 77' ' ' MET . 1.1 tm? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -52.82 -55.89 19.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.075 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' HG3' HD22 ' A' ' 11' ' ' LEU . 7.0 pt-20 -35.44 -51.02 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD22 ' HG3' ' A' ' 10' ' ' GLU . 4.0 mm? -63.06 -55.52 24.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.534 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.2 t80 -43.95 -37.97 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.57 -53.97 39.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -60.62 -56.05 25.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.45 -51.39 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.59 -45.54 18.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.02 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.755 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.4 t60 -80.34 -33.38 37.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.453 ' HG ' ' CD1' ' A' ' 34' ' ' LEU . 1.2 tt -44.64 -45.96 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -62.53 -29.97 70.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -88.27 -9.04 70.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.755 HD11 ' CD2' ' A' ' 18' ' ' HIS . 47.4 mt -111.97 13.91 20.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 31' ' ' LEU . 32.1 mm -63.76 -35.32 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -70.55 -20.8 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 m -104.66 -18.53 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.25 126.12 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ARG . 71.2 m -80.25 156.41 26.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' SER . 25.1 mmt180 -34.07 -52.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -54.7 -60.4 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -39.02 -55.92 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.406 HD11 HD12 ' A' ' 23' ' ' ILE . 3.5 mm? -43.7 -39.39 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.7 tp -82.21 -52.04 7.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -40.43 -38.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.865 HD21 HG11 ' A' ' 83' ' ' VAL . 37.9 mt -75.65 -34.05 60.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.587 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -63.33 -44.25 95.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -55.89 -63.46 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.08 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.647 ' O ' HG13 ' A' ' 41' ' ' VAL . 65.3 mtt-85 -59.63 -50.47 73.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.551 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.9 t80 -51.45 -44.36 62.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 22.8 mmmt -73.08 -19.72 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 40.2 tp60 -81.41 -33.75 32.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.848 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.2 m -76.76 -26.12 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -87.68 -49.94 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.0 t -89.65 -65.82 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.7 -116.67 3.63 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' CYS . 9.4 m120 -73.09 104.63 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.856 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' ASN . 45.1 t -38.18 112.28 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -123.91 36.46 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 p -116.95 150.81 46.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 143.56 50.95 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.688 2.259 . . . . 0.0 112.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -55.87 135.96 72.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.534 0.683 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.84 175.57 8.0 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -75.79 164.03 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.86 -30.85 40.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -81.08 -15.7 55.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.29 82.24 3.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -66.92 -56.88 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' PHE . 18.1 mt-10 -37.03 -45.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.39 -22.93 49.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' PHE . 28.9 ttpt -66.71 -60.26 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -49.75 -53.44 24.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.587 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 25.9 mtpt -51.97 -56.38 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.552 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 90.3 t90 -53.17 -43.06 66.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' LYS . 26.0 mt-10 -58.83 -70.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -34.16 -54.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -68.77 -35.23 76.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.6 tptt -57.93 -44.21 86.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.85 -21.86 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.458 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 22.6 mt -91.69 50.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.34 -38.58 53.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -112.35 31.15 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 m -86.41 -179.54 6.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -125.45 155.92 71.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.83 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -34.42 77.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -76.73 -16.33 59.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.848 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -89.57 -22.81 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.543 ' HB2' HD11 ' A' ' 8' ' ' LEU . 16.8 mtt -78.47 -42.4 29.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -49.59 -54.3 19.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HB2' ' CD ' ' A' ' 37' ' ' ARG . 78.5 mm-40 -67.42 -43.08 82.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 6.7 t80 -55.21 -34.28 63.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.688 ' O ' HG22 ' A' ' 84' ' ' VAL . 10.2 mt -82.83 -62.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -32.72 -54.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.865 HG11 HD21 ' A' ' 34' ' ' LEU . 2.8 p -46.68 -56.67 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.1 m -49.93 -26.7 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -79.8 -33.11 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.477 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -66.66 -26.31 66.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -88.18 -44.63 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.655 ' HB2' HD22 ' A' ' 22' ' ' LEU . 11.3 t0 -128.17 88.58 52.44 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.75 14.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.72 33.8 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.527 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 8.2 t90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 8' ' ' LEU . 1.2 tm? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -36.35 -58.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.595 ' HG3' HD22 ' A' ' 11' ' ' LEU . 9.9 pt-20 -35.71 -47.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.595 HD22 ' HG3' ' A' ' 10' ' ' GLU . 3.4 mm? -65.97 -52.53 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.647 ' CZ ' ' CD2' ' A' ' 38' ' ' TYR . 72.7 t80 -39.51 -37.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -71.89 -56.79 5.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -53.05 -54.4 35.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.67 -46.99 20.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.49 -48.09 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.58 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.443 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.7 t60 -74.7 -30.41 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -46.49 -52.26 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -57.89 -23.56 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.49 -10.81 63.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.443 HD11 ' CD2' ' A' ' 18' ' ' HIS . 37.6 mt -112.43 19.02 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.58 -33.72 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -73.02 -17.44 61.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.9 m -109.76 -15.27 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -88.26 132.09 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.403 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -82.98 151.14 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 10.6 ptt180 -40.07 -35.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 2.2 mm-40 -75.72 -45.5 36.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -56.75 -36.27 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.432 HD22 ' HB1' ' A' ' 26' ' ' ALA . 4.2 mm? -60.7 -42.43 97.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.0 tp -73.04 -43.8 61.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -45.63 -37.96 6.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.973 HD21 HG11 ' A' ' 83' ' ' VAL . 24.1 mt -80.83 -28.38 36.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.59 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.8 t80 -66.97 -51.27 57.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.421 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -53.52 -64.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.075 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.603 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 37.3 mtt-85 -53.44 -49.17 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.647 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 8.6 t80 -58.84 -33.41 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 17.8 mmmt -79.45 -13.3 59.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 3.3 tp-100 -94.77 -23.48 17.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 37' ' ' ARG . 4.9 m -88.65 -28.03 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 3.7 mmpt? -86.68 -53.37 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.7 t -87.83 -66.6 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.2 -143.5 15.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.51 112.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 t -46.35 125.58 6.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -127.04 -37.7 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.1 p -40.83 154.55 0.21 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 147.0 61.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -66.7 134.83 94.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.3 Cg_endo -69.76 152.7 69.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -70.65 158.7 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -57.51 -45.88 84.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 m-85 -54.63 -46.66 73.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.76 75.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -63.64 -59.14 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -37.52 -57.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.28 -28.52 73.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 26.6 ttpp -56.18 -56.23 23.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.412 ' OE1' HD13 ' A' ' 32' ' ' LEU . 4.6 pt20 -56.63 -45.67 81.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.59 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 28.4 mtpt -56.64 -60.41 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.48 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.3 t90 -54.51 -48.89 71.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' LYS . 11.7 mt-10 -54.08 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -34.19 -51.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -65.63 -40.1 92.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' GLU . 47.9 tptt -56.27 -46.51 79.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.21 -31.52 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.496 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 30.7 mt -86.53 55.57 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.89 -78.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.65 54.27 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -92.51 124.92 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -52.32 150.99 7.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.741 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.538 ' HA ' HG12 ' A' ' 41' ' ' VAL . 52.9 Cg_endo -69.78 -51.25 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.715 2.276 . . . . 0.0 112.299 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 p -56.81 -40.95 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -65.89 -19.61 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.603 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -95.17 -19.67 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.523 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.1 mtm -87.68 -38.41 15.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -54.4 -48.68 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' O ' HG12 ' A' ' 83' ' ' VAL . 43.7 mt-10 -76.03 -43.2 45.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 1.3 t80 -52.03 -31.07 28.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.803 ' O ' HG22 ' A' ' 84' ' ' VAL . 8.1 mt -84.92 -62.31 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.75 -55.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.973 HG11 HD21 ' A' ' 34' ' ' LEU . 2.5 p -44.07 -57.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.803 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.5 m -49.74 -25.14 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -81.13 -35.94 30.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.486 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -63.13 -26.4 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -86.49 -47.66 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.419 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 30.4 t70 -123.88 93.15 47.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.0 Cg_endo -69.74 -10.21 28.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.649 2.233 . . . . 0.0 112.374 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.94 51.05 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.6 t90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.591 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.85 0.357 . . . . 0.0 110.924 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -58.93 -62.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.79 ' HG3' HD22 ' A' ' 11' ' ' LEU . 13.7 pt-20 -36.59 -39.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.79 HD22 ' HG3' ' A' ' 10' ' ' GLU . 2.8 mm? -69.3 -47.3 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 44.9 t80 -48.2 -36.26 13.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -69.67 -48.52 59.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -61.64 -53.67 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.88 -48.01 42.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.37 -48.15 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.63 -30.58 71.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -74.78 -30.34 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.02 -52.56 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -55.94 -25.67 44.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.05 -11.58 67.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.492 HD22 ' HB2' ' A' ' 88' ' ' ASP . 33.5 mt -111.19 17.76 20.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.2 mm -65.61 -39.78 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -68.5 -18.41 64.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.03 -16.57 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 128.88 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.1 t -80.91 146.88 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -36.16 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.2 mm-40 -75.18 -49.74 18.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' SER . 16.9 mm-40 -51.71 -48.21 63.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.7 -54.13 10.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.3 tp -59.51 -47.71 84.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.418 ' CE1' ' NH1' ' A' ' 37' ' ' ARG . 59.0 t80 -43.55 -42.79 5.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.827 HD21 HG11 ' A' ' 83' ' ' VAL . 23.5 mt -77.91 -26.04 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 5.8 t80 -65.42 -52.75 51.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -53.4 -65.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.806 ' O ' HG13 ' A' ' 41' ' ' VAL . 37.8 mtt85 -54.35 -40.7 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 3.1 t80 -63.37 -35.22 79.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 14.9 mmmt -77.31 -19.97 55.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -84.11 -30.3 26.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 37' ' ' ARG . 2.8 m -80.89 -26.33 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -92.13 -47.32 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.8 t -96.46 -66.58 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.62 -151.17 16.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 69' ' ' GLY . 2.1 m-20 -49.86 114.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.344 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ASN . 14.9 t -35.93 124.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -126.53 36.26 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.0 p -127.55 143.75 48.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.74 55.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.366 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HG3' ' HD2' ' A' ' 51' ' ' PRO . 15.0 tttp -45.2 128.52 5.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.76 172.0 13.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.314 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 t -73.79 135.95 43.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -47.16 -38.45 11.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -63.39 -48.35 78.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -64.29 82.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -49.34 64.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -47.12 -44.08 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.78 -22.84 54.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.539 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -63.63 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -45.85 -56.1 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 66.8 mttt -51.74 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.545 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 63.5 t90 -39.18 -48.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' LYS . 28.9 mt-10 -62.53 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -39.58 -52.23 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -72.73 -28.73 62.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 17.5 tptm -65.26 -48.48 73.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.79 -22.94 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.077 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.24 52.7 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.502 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -76.05 -38.42 35.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.4 32.45 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 m -92.04 -177.86 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -128.7 160.01 65.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.74 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.4 -32.44 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -75.51 -19.23 59.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.715 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -89.34 -23.82 22.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.41 ' HG2' ' CG ' ' A' ' 12' ' ' PHE . 26.3 mtt -78.57 -27.46 45.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.85 -46.14 89.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.727 ' O ' HG12 ' A' ' 83' ' ' VAL . 70.8 mm-40 -78.66 -36.77 43.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.2 t80 -62.38 -26.86 68.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.756 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -90.73 -66.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.073 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.524 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.79 -56.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.827 HG11 HD21 ' A' ' 34' ' ' LEU . 2.5 p -43.99 -57.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -50.41 -24.45 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.456 ' CD ' ' HA ' ' A' ' 82' ' ' ALA . 20.4 mtpp -76.08 -34.5 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -69.57 -32.15 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.89 -38.38 57.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.492 ' HB2' HD22 ' A' ' 22' ' ' LEU . 16.0 t70 -134.32 93.47 19.19 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.708 . . . . 0.0 110.835 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.0 Cg_endo -69.77 0.86 5.04 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.27 41.86 2.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.2 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.744 0.306 . . . . 0.0 110.938 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -115.34 175.69 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -44.49 160.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.59 152.48 20.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -110.81 36.16 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -76.82 160.81 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.32 158.23 9.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.76 -56.69 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -48.43 -55.92 9.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 5.5 pt-20 -35.05 -45.46 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 4.6 mm? -66.41 -51.19 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.549 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 53.5 t80 -47.15 -31.08 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.56 -49.67 38.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -62.59 -58.9 5.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.59 -50.53 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.68 -47.32 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -31.1 72.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.819 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.4 t60 -72.97 -32.83 65.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -44.74 -53.8 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -55.32 -26.89 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.09 -13.66 58.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.819 HD11 ' CD2' ' A' ' 18' ' ' HIS . 56.9 mt -110.02 19.18 19.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -66.9 -38.91 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.19 -26.39 65.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.89 -11.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.49 128.41 43.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' HD23 ' A' ' 31' ' ' LEU . 42.8 m -79.32 158.27 27.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.1 mmt-85 -39.68 -53.16 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -59.9 -41.71 92.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -58.01 -38.65 76.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -60.06 -42.43 94.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.646 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.8 tp -71.87 -51.0 24.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 48.1 t80 -38.63 -40.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.896 HD21 HG11 ' A' ' 83' ' ' VAL . 22.6 mt -78.83 -34.37 45.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LEU . 9.7 t80 -61.41 -60.34 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB2' ' CB ' ' A' ' 64' ' ' ALA . . . -43.2 -63.83 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.73 ' O ' HG13 ' A' ' 41' ' ' VAL . 21.8 mtt85 -55.88 -43.54 77.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 4.2 t80 -58.88 -26.72 64.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HE3' ' CH2' ' A' ' 65' ' ' TRP . 26.8 mmmt -85.59 -27.23 25.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.955 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -78.22 -23.56 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 37' ' ' ARG . 3.2 m -88.53 -30.97 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -86.44 -50.09 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 t -96.23 -65.19 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.67 -122.41 5.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 46' ' ' CYS . 7.9 m120 -61.64 128.23 35.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ASN . 2.4 t -36.82 -50.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.1 p30 35.19 35.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' CYS . 8.0 p -135.07 147.78 64.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.81 49.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 49.9 tttt -62.12 139.2 96.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.73 167.83 23.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -66.23 152.5 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.25 -49.38 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.432 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.9 m-85 -58.37 -41.51 84.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -68.82 78.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -65.32 -61.27 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' PHE . 20.7 mt-10 -35.26 -54.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.32 -28.93 67.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' PHE . 27.0 ttpp -56.82 -60.98 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.727 0.299 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -46.36 -49.31 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.646 ' HG2' HD11 ' A' ' 32' ' ' LEU . 22.6 mtpt -50.11 -63.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.528 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.1 t90 -50.66 -42.02 56.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -58.53 -65.61 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' A' ' 36' ' ' ALA . . . -47.44 -45.91 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.518 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 15.2 t90 -75.52 -23.17 56.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 23.6 tptt -74.64 -41.57 60.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.86 -26.52 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' GLY . 19.0 mt -83.82 54.98 3.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . -36.94 -79.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -124.16 50.93 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -79.84 149.09 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -73.96 157.2 87.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.669 0.747 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -57.61 -44.8 85.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.83 -24.99 64.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.701 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -86.27 -26.1 25.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.549 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 12.5 mtt -79.85 -31.4 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -58.88 -51.97 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.612 ' O ' HG12 ' A' ' 83' ' ' VAL . 31.1 mt-10 -72.98 -32.26 65.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.8 t80 -64.89 -25.34 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.1 mt -90.56 -65.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.66 -58.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.896 HG11 HD21 ' A' ' 34' ' ' LEU . 2.0 p -40.41 -59.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.677 ' H ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -49.43 -29.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' ALA . 29.7 mtpt -69.91 -34.65 73.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.52 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -70.75 -34.42 71.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.48 -38.83 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.404 ' HB2' HD22 ' A' ' 22' ' ' LEU . 22.9 t70 -133.58 94.24 19.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.615 0.722 . . . . 0.0 110.821 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.1 Cg_endo -69.82 -13.01 33.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.637 2.225 . . . . 0.0 112.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.07 36.62 3.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.532 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 23.4 t90 -109.4 127.45 54.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.673 ' CB ' HD11 ' A' ' 95' ' ' ILE . 10.3 m120 -130.16 86.57 53.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.532 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 54.1 Cg_endo -69.75 -39.62 6.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.629 2.22 . . . . 0.0 112.406 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -87.96 86.7 7.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.673 HD11 ' CB ' ' A' ' 92' ' ' ASN . 50.8 mm -110.9 127.8 26.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -37.02 9.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -47.51 167.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -141.61 109.57 5.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -129.92 96.6 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.59 136.63 2.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -118.42 127.62 53.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.715 0.293 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -127.9 102.95 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.94 -45.37 93.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.9 p -51.43 100.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.91 -71.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -175.04 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.368 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.4 m -44.83 130.08 7.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.4 m -153.33 177.57 10.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -134.91 165.23 25.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -148.4 146.98 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.93 111.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -72.48 121.4 19.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -65.53 165.38 12.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.548 ' O ' HD22 ' A' ' 11' ' ' LEU . . . 65.41 53.6 31.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 78' ' ' GLN . 0.1 OUTLIER -40.95 -41.08 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -71.88 -57.73 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' ALA . 51.7 mm-40 -35.32 -47.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 7' ' ' GLY . 1.8 mm? -65.08 -50.87 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 63.2 t80 -44.08 -24.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -83.76 -49.7 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -63.76 -50.01 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.41 -46.12 47.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.79 54.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.76 -25.48 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -80.17 -27.83 38.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 ' OH ' ' A' ' 80' ' ' TYR . 1.9 tt -49.57 -46.64 49.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -60.63 -22.79 64.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.11 -11.13 60.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HB2' ' A' ' 88' ' ' ASP . 27.4 mt -112.02 17.64 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.4 mm -67.24 -36.19 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.1 -23.77 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -101.73 -14.3 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -90.7 138.59 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.1 p -89.63 149.59 22.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 5.7 ptp180 -39.53 -32.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 50.8 mt-10 -73.82 -51.04 17.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.493 HE22 ' CD2' ' A' ' 87' ' ' LEU . 31.8 mt-30 -53.23 -44.77 68.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.447 HD13 HD21 ' A' ' 19' ' ' LEU . 4.5 mm? -50.4 -39.45 47.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.7 tp -75.57 -48.11 23.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 62.6 t80 -42.82 -35.7 1.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.931 HD21 HG11 ' A' ' 83' ' ' VAL . 20.0 mt -83.15 -31.48 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.529 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 5.4 t80 -62.41 -56.65 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.559 ' HB2' ' CB ' ' A' ' 64' ' ' ALA . . . -49.37 -62.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.626 ' O ' HG13 ' A' ' 41' ' ' VAL . 40.4 mtt85 -53.5 -47.46 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 2.8 t80 -60.99 -30.99 70.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 20.9 mmmt -78.51 -24.09 45.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -78.96 -44.99 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.671 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -66.86 -24.61 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -90.28 -52.93 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.66 -63.9 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.32 -142.78 17.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -46.18 106.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.3 t -38.12 129.03 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -127.96 -32.89 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.0 p -51.4 151.43 5.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.52 48.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.695 2.264 . . . . 0.0 112.372 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -58.54 129.0 84.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.567 0.698 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 131.55 21.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.289 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.23 152.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -54.21 -45.25 72.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.486 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 4.7 m-85 -49.96 -47.37 52.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -73.82 77.66 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -66.54 -58.51 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -38.57 -56.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.6 -20.69 77.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' PHE . 26.8 ttpp -64.68 -55.16 21.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -52.84 -44.0 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.628 ' HG2' HD11 ' A' ' 32' ' ' LEU . 26.7 mtpt -61.99 -46.86 87.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 82.3 t90 -62.77 -43.9 97.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -59.0 -65.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.559 ' CB ' ' HB2' ' A' ' 36' ' ' ALA . . . -39.11 -53.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -67.26 -37.22 83.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.504 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 18.1 tptm -57.17 -51.1 70.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.09 -36.13 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.7 mt -76.73 50.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.59 -74.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -113.1 49.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.6 m -90.28 136.69 32.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -63.54 150.72 89.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.414 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.83 -50.38 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 t -55.22 -46.0 75.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -57.97 -27.46 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.671 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -82.74 -25.86 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.541 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 8.2 mtt -78.71 -32.73 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.414 ' HG2' HD21 ' A' ' 8' ' ' LEU . 12.0 mt-30 -59.46 -54.22 49.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.835 ' O ' HG12 ' A' ' 83' ' ' VAL . 55.0 mm-40 -66.64 -43.75 83.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.6 t80 -53.26 -36.63 61.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.817 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -82.21 -65.69 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.516 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.63 -56.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.931 HG11 HD21 ' A' ' 34' ' ' LEU . 2.2 p -45.27 -56.21 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -50.65 -23.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -78.6 -38.6 39.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.503 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -64.23 -29.88 70.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.493 ' CD2' HE22 ' A' ' 30' ' ' GLN . 5.4 mt -79.79 -40.72 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.55 ' HB2' HD22 ' A' ' 22' ' ' LEU . 21.2 t0 -134.57 94.28 17.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.703 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.3 Cg_endo -69.75 -7.21 20.48 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.69 45.31 2.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.553 ' CZ2' ' HG3' ' A' ' 93' ' ' PRO . 23.0 t90 -126.77 125.62 42.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -133.01 85.86 44.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 91' ' ' TRP . 53.6 Cg_endo -69.79 -20.87 34.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.24 . . . . 0.0 112.337 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -153.06 126.63 8.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -101.8 131.28 23.03 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -47.67 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.252 . . . . 0.0 112.382 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 31.7 tt0 -46.33 152.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.443 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 11.5 tptm -133.11 154.66 50.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -91.92 123.81 35.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.43 144.21 9.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.444 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' ALA . 3.5 tmmm? -79.73 132.04 36.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.17 88.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' LYS . . . -52.49 117.3 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.2 t -64.88 152.75 42.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.32 75.81 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 143.1 49.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.9 p -137.09 151.1 48.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m 50.45 42.28 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -68.72 94.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 m -85.94 -54.95 4.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.07 57.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -104.16 90.76 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 p -96.86 123.03 40.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 99.75 38.31 3.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.513 HD12 ' CB ' ' A' ' 77' ' ' MET . 0.2 OUTLIER -34.57 -48.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 110.943 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -46.58 -63.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ALA . 28.2 mm-40 -35.23 -52.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.426 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.1 mm? -61.04 -46.07 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 80.7 t80 -48.74 -37.5 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.11 -57.24 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -54.62 -57.35 11.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.63 -54.07 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.36 -46.98 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.68 -28.64 69.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.449 ' NE2' HD21 ' A' ' 22' ' ' LEU . 4.9 t60 -77.62 -29.82 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' HG ' ' CD1' ' A' ' 34' ' ' LEU . 2.3 tt -45.7 -47.87 15.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -56.87 -30.03 63.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.33 -13.64 67.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.449 HD21 ' NE2' ' A' ' 18' ' ' HIS . 27.2 mt -107.04 17.71 22.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.14 -30.41 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -81.14 -18.8 45.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 29.7 m -104.46 -15.18 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.95 123.27 34.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -72.6 155.36 40.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -41.89 -31.47 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.43 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 35.8 mt-10 -75.9 -46.06 32.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.541 HE21 ' HA ' ' A' ' 30' ' ' GLN . 0.6 OUTLIER -54.18 -45.89 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.1 -44.13 51.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.9 tp -73.05 -44.47 60.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.642 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 32.1 t80 -47.41 -52.56 16.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.651 HD21 HG11 ' A' ' 83' ' ' VAL . 38.3 mt -62.49 -24.13 67.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.53 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.9 t80 -79.67 -45.84 18.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.8 -63.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.794 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 23.3 mtm-85 -64.56 -47.24 79.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -47.98 -40.67 23.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 13.6 mmmt -76.01 -28.44 57.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' CD ' ' O ' ' A' ' 68' ' ' LEU . 50.0 tp60 -73.4 -34.4 65.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.729 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 10.1 m -78.04 -24.74 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -87.55 -49.94 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 t -95.18 -65.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.31 -141.53 13.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -48.15 123.27 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.7 t -58.17 115.55 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -114.82 -34.82 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.8 p -44.41 148.3 0.89 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 143.39 50.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 76.9 tttt -56.86 136.42 79.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.54 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.74 173.09 11.46 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 t -79.43 141.63 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.34 -48.33 55.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.53 -35.34 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -75.39 78.31 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -63.91 -56.52 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' PHE . 39.9 mt-10 -35.14 -57.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.58 -42.94 53.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 19.4 ttpt -40.84 -56.62 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 3.4 pt20 -55.26 -43.85 75.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.725 ' HG2' HD11 ' A' ' 32' ' ' LEU . 21.5 mtpt -58.54 -60.18 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.54 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.8 t90 -55.77 -38.61 70.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ALA . 11.4 mt-10 -62.72 -71.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.87 -56.38 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -63.14 -44.65 94.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 62' ' ' TRP . 8.7 tptp -49.46 -47.07 48.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.29 -26.38 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 40' ' ' GLN . 18.6 mt -89.77 50.84 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.56 -47.38 27.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -108.16 35.29 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.0 m -99.88 144.41 28.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 m -83.03 161.42 57.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.702 0.763 . . . . 0.0 110.788 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.481 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.8 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 p -60.98 -44.22 97.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.78 -15.73 43.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.794 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -93.23 -27.88 16.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.535 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.4 mtt -76.28 -32.22 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.439 ' HG2' HD21 ' A' ' 8' ' ' LEU . 32.2 mt-30 -57.91 -46.34 85.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.696 ' O ' HG12 ' A' ' 83' ' ' VAL . 41.8 mt-10 -76.29 -38.0 56.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 9.2 t80 -59.91 -24.86 64.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.851 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -91.63 -65.39 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.537 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -33.01 -55.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 79' ' ' GLU . 2.2 p -44.6 -58.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.8 m -49.39 -22.05 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -79.65 -36.86 37.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.98 -28.23 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.443 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 3.1 mt -83.17 -37.07 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 30.2 t70 -134.62 93.48 18.3 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.592 0.71 . . . . 0.0 110.873 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.2 Cg_endo -69.73 -8.58 23.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.0 -10.34 69.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.559 ' CH2' ' HG3' ' A' ' 93' ' ' PRO . 30.5 t90 -68.77 125.44 26.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 41.5 p30 -134.96 85.39 34.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.559 ' HG3' ' CH2' ' A' ' 91' ' ' TRP . 54.1 Cg_endo -69.75 -41.87 3.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -116.33 116.13 27.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.74 129.82 24.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.729 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -42.34 3.52 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 98' ' ' LYS . 9.5 tp10 -53.43 151.35 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 21.4 ttmt -135.78 147.71 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -51.99 170.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.31 72.88 0.68 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.08 42.16 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -123.57 136.01 54.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -172.76 140.58 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 77.4 p -57.42 -51.28 70.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.38 156.24 32.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 107' ' ' SER . 54.1 Cg_endo -69.75 2.61 3.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' PRO . 7.7 t -35.69 -52.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 t 67.98 47.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.516 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 p -85.02 83.92 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 p -88.69 159.98 17.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.17 41.12 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.521 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 m -65.41 142.42 58.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m -114.9 102.86 10.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' O ' ' CG ' ' A' ' 10' ' ' GLU . . . -97.84 123.87 7.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.455 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.75 -51.06 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.68 -52.13 24.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 3.6 pt-20 -42.74 -44.05 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.4 mm? -69.76 -51.69 31.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.9 t80 -42.97 -35.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.51 -54.24 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -59.11 -57.13 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.85 -47.75 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.98 -44.77 51.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.12 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.639 ' CD2' HD11 ' A' ' 22' ' ' LEU . 3.5 t60 -75.67 -35.27 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.06 -46.27 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -60.73 -32.45 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -84.81 -8.08 83.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.639 HD11 ' CD2' ' A' ' 18' ' ' HIS . 31.8 mt -112.81 12.38 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.83 -29.81 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -77.42 -18.23 57.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 35.9 m -107.4 -12.01 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.31 136.5 33.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 t -86.07 151.78 23.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -44.47 -30.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -79.69 -38.55 33.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.629 ' NE2' HD21 ' A' ' 87' ' ' LEU . 59.5 mt-30 -63.89 -42.72 97.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.19 -39.57 66.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD11 ' HG2' ' A' ' 61' ' ' LYS . 3.1 tp -72.94 -44.23 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 56.7 t80 -47.54 -38.9 15.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 83' ' ' VAL . 13.3 mt -80.86 -20.93 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.569 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -72.63 -44.8 61.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.538 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -60.2 -63.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.583 ' NH1' ' CZ ' ' A' ' 33' ' ' TYR . 51.0 mtt85 -54.88 -47.06 74.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 9.8 t80 -58.05 -40.75 81.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.53 -18.88 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -82.32 -47.69 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.708 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -65.84 -27.2 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -86.83 -51.03 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.76 -64.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.0 -131.59 9.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -59.25 121.87 12.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.7 t -45.23 117.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.18 -29.4 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.7 p -60.5 146.97 84.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.601 0.715 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.92 55.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -55.51 129.36 69.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.51 0.672 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.2 Cg_endo -69.75 167.91 23.05 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -70.51 155.69 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -64.83 -43.57 92.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.576 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.8 m-85 -68.11 -26.02 65.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -80.07 58.46 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -52.53 -55.52 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -40.59 -46.82 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.74 -14.64 60.91 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 22.3 ttpp -70.98 -64.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -43.52 -52.06 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.2 mtpt -50.75 -54.92 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.528 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.3 t90 -57.96 -39.21 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LYS . 19.4 mt-10 -62.26 -68.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -36.83 -51.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.66 -33.39 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.5 tptt -62.44 -45.93 90.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.44 -22.6 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.6 mt -89.32 52.41 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.92 -73.32 0.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -109.38 51.12 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 m -89.82 131.5 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -67.41 155.52 90.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.676 0.751 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.48 ' HA ' HG12 ' A' ' 41' ' ' VAL . 54.0 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.355 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 p -56.21 -46.08 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -61.27 -20.26 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.708 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -91.52 -21.48 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.522 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 12.6 mtm -87.08 -28.3 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.37 -49.9 73.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.691 ' O ' HG12 ' A' ' 83' ' ' VAL . 6.8 mm-40 -76.39 -31.88 58.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 11.2 t80 -63.03 -30.86 71.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.745 ' O ' HG22 ' A' ' 84' ' ' VAL . 7.8 mt -85.33 -64.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.609 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.64 -57.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.737 HG11 HD21 ' A' ' 34' ' ' LEU . 2.0 p -43.34 -59.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -49.94 -24.0 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -76.42 -44.13 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.609 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -59.0 -30.45 68.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.629 HD21 ' NE2' ' A' ' 30' ' ' GLN . 5.1 mt -77.68 -43.09 32.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.467 ' HB2' HD22 ' A' ' 22' ' ' LEU . 25.8 t0 -131.74 94.76 24.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.7 Cg_endo -69.77 -19.06 36.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.77 31.05 4.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 16.9 t90 -98.93 119.8 38.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.891 ' HB2' HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -123.69 84.56 53.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.872 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -47.89 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -92.33 115.79 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.891 HD11 ' HB2' ' A' ' 92' ' ' ASN . 43.4 mm -132.18 124.15 19.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -38.94 7.14 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.733 2.288 . . . . 0.0 112.358 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.419 ' OE1' ' C ' ' A' ' 97' ' ' GLU . 1.1 tm-20 -53.49 154.49 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -119.06 146.69 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.78 134.71 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.15 -123.62 7.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.512 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -172.35 113.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.737 0.303 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -99.17 166.7 11.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -83.83 42.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -39.68 -69.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 152.67 -157.22 27.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -2.56 10.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.6 p -93.63 52.25 1.68 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.8 t -125.17 -60.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -113.93 42.96 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.816 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -147.25 167.78 23.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.94 117.11 0.66 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -80.22 -56.0 4.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -112.42 90.03 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.96 57.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -55.19 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.334 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -51.1 -53.82 30.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.707 ' HG3' HD22 ' A' ' 11' ' ' LEU . 6.5 pt-20 -36.31 -39.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.707 HD22 ' HG3' ' A' ' 10' ' ' GLU . 2.0 mm? -75.05 -44.39 48.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.464 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 74.7 t80 -50.68 -29.81 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -75.68 -50.09 16.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HE3' HD13 ' A' ' 11' ' ' LEU . 30.0 mtmt -61.79 -57.57 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.12 -51.69 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.23 -45.63 11.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.64 75.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.463 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.9 t60 -71.4 -33.62 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.522 HD11 HD12 ' A' ' 34' ' ' LEU . 1.7 tt -43.53 -54.11 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.29 -31.64 33.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.14 -12.87 72.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 88' ' ' ASP . 33.6 mt -109.24 16.65 22.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 31' ' ' LEU . 25.1 mm -65.87 -32.14 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -74.9 -17.79 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -107.57 -12.85 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.75 122.48 37.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ARG . 35.6 m -73.32 152.29 40.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' SER . 10.0 ptm180 -35.13 -52.0 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.2 -48.18 82.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -50.04 -45.02 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 23' ' ' ILE . 4.3 mm? -52.74 -52.85 54.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.4 tp -63.31 -42.82 99.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.488 ' HD2' HD23 ' A' ' 34' ' ' LEU . 77.2 t80 -45.78 -38.39 7.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.736 ' CD2' HG11 ' A' ' 83' ' ' VAL . 15.2 mt -83.34 -26.33 30.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.7 t80 -67.59 -49.01 65.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -52.23 -62.74 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.734 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 87.8 mtt-85 -54.27 -54.2 43.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -48.75 -37.03 17.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 19.0 mmmt -77.34 -21.3 53.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -83.36 -34.61 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.664 HG12 ' HB3' ' A' ' 76' ' ' ALA . 3.1 m -78.25 -25.23 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -90.91 -43.93 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.0 -66.52 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.4 -137.36 12.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -54.03 108.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 t -36.33 106.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.7 p30 -112.39 34.9 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.9 p -123.66 149.08 57.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.562 0.696 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.91 66.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 23.3 ttmt -58.53 137.62 85.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.527 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.0 Cg_endo -69.71 -177.49 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -85.34 161.16 19.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -68.02 -38.65 82.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -72.85 -38.16 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.11 79.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -66.57 -56.2 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -42.38 -46.08 4.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.94 -16.95 71.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' PHE . 23.9 ttpp -70.63 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.304 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.0 -45.37 61.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HG2' HD11 ' A' ' 32' ' ' LEU . 55.3 mttt -56.42 -62.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.527 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 92.4 t90 -50.77 -41.46 56.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' LYS . 15.1 mt-10 -61.45 -71.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -36.04 -51.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.3 t90 -71.35 -34.05 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' GLU . 45.6 tptt -60.17 -40.05 88.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.38 -24.43 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.5 mt -90.34 50.94 1.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.37 -49.83 11.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.49 21.93 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -80.73 178.57 8.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -122.8 157.21 60.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.481 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.82 -50.53 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -62.76 -32.64 73.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -75.81 -19.81 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.734 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -86.1 -22.39 27.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.3 mtt -80.12 -45.73 17.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -47.37 -48.07 25.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.656 ' O ' HG12 ' A' ' 83' ' ' VAL . 38.4 mm-40 -76.12 -45.91 31.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.8 t80 -52.21 -32.62 37.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.691 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.3 mt -84.38 -64.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.518 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.49 -56.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.736 HG11 ' CD2' ' A' ' 34' ' ' LEU . 2.1 p -42.97 -56.82 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.1 m -51.26 -26.88 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 82' ' ' ALA . 3.9 mtpm? -72.46 -34.43 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.4 -32.7 68.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 84' ' ' VAL . 8.5 mt -73.98 -40.28 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.553 ' HB2' HD22 ' A' ' 22' ' ' LEU . 8.5 t0 -138.52 104.96 7.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.537 0.684 . . . . 0.0 110.894 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.72 -34.5 14.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.222 . . . . 0.0 112.397 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.41 49.5 2.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -111.55 123.7 50.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.507 ' ND2' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -126.98 94.41 39.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -28.75 24.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -134.19 125.37 27.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.492 HG23 ' HD2' ' A' ' 96' ' ' PRO . 3.8 mp -113.82 134.14 22.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.669 0.747 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.492 ' HD2' HG23 ' A' ' 95' ' ' ILE . 53.7 Cg_endo -69.76 -45.04 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.303 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -49.46 171.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -128.55 129.43 45.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -141.37 120.99 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.64 -106.24 0.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -48.79 124.99 9.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -109.48 170.35 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.91 160.79 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.9 p -109.53 -42.58 4.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.46 145.85 11.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 117.52 5.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 p -41.54 -56.64 2.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.4 t -161.77 129.84 4.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -90.32 103.65 16.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -116.28 103.53 10.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.19 62.38 0.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 p -89.57 121.71 32.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -157.23 144.73 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.47 54.73 0.4 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.9 -56.18 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.46 -52.56 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.508 ' HG3' HD22 ' A' ' 11' ' ' LEU . 3.1 pt-20 -38.98 -36.48 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.508 HD22 ' HG3' ' A' ' 10' ' ' GLU . 2.7 mm? -77.39 -44.8 28.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.0 t80 -47.71 -34.37 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.25 -53.03 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' CD ' ' O ' ' A' ' 93' ' ' PRO . 19.0 mtmm -58.08 -54.03 51.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -48.5 -50.26 32.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.077 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.91 -46.15 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -24.23 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.568 ' CD2' HD11 ' A' ' 22' ' ' LEU . 3.1 t60 -81.67 -32.21 31.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.0 -46.09 16.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -59.44 -33.12 70.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.23 -13.0 72.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 18' ' ' HIS . 52.9 mt -106.09 14.68 27.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.03 -32.11 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -75.7 -20.99 58.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.78 -12.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.11 135.25 34.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLU . 78.7 p -85.53 145.71 27.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -37.5 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.459 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 22.5 mt-10 -75.5 -48.83 20.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.615 ' NE2' HD21 ' A' ' 87' ' ' LEU . 56.6 mt-30 -56.82 -34.12 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.96 -37.59 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.9 tp -77.06 -39.38 50.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -50.72 -37.3 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.856 HD21 HG11 ' A' ' 83' ' ' VAL . 26.1 mt -82.96 -22.45 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.548 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -68.42 -44.98 73.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.27 -64.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.69 ' O ' HG13 ' A' ' 41' ' ' VAL . 93.3 mtt-85 -54.81 -44.38 73.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 4.6 t80 -62.32 -30.46 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 21.2 mmmt -82.46 -15.65 51.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -89.92 -38.19 13.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.9 m -73.66 -22.66 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -94.37 -50.68 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -91.24 -69.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.22 -149.06 16.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -42.37 123.51 2.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 t -60.51 113.79 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -111.89 -36.25 5.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.2 p -46.64 148.83 1.61 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.577 0.703 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 154.63 67.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -67.55 136.6 93.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.539 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.2 Cg_endo -69.73 169.48 18.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.398 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 t -71.58 150.81 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.68 -41.6 95.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.442 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 6.5 m-85 -66.25 -37.02 84.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -74.06 76.5 1.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -63.29 -55.85 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -38.52 -57.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.43 -15.61 80.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' PHE . 25.9 ttpt -73.64 -46.17 48.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.725 0.298 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -62.34 -44.71 95.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.4 mtpt -61.58 -54.54 41.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.539 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.6 t90 -58.9 -40.3 84.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' LYS . 13.3 mt-10 -61.18 -70.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.0 -48.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.437 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.5 t90 -70.34 -34.49 72.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' GLU . 30.6 tptt -60.92 -41.97 97.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.67 -28.73 22.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.41 51.17 2.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.93 -76.39 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.82 51.79 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -87.05 173.51 9.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -111.98 155.53 43.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.485 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.84 -50.82 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -41.91 98.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -66.82 -19.89 65.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.711 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -88.76 -20.73 24.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 25.1 mtt -83.62 -36.06 24.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -55.01 -50.89 67.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.659 ' O ' HG12 ' A' ' 83' ' ' VAL . 3.9 mm-40 -72.51 -43.79 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 1.5 t80 -56.89 -26.05 58.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.785 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -88.81 -64.5 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.78 -56.26 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.856 HG11 HD21 ' A' ' 34' ' ' LEU . 1.8 p -44.27 -57.57 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -50.68 -23.78 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -76.25 -33.25 59.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.71 -32.14 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD21 ' NE2' ' A' ' 30' ' ' GLN . 8.7 mt -73.3 -41.1 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 t70 -137.28 104.98 8.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.5 Cg_endo -69.76 -28.6 25.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.55 52.65 4.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.463 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 19.0 t90 -110.39 116.21 31.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -113.14 86.41 9.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 54.1 Cg_endo -69.71 -33.55 16.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.268 . . . . 0.0 112.342 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -94.65 85.26 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.404 HG23 ' HD2' ' A' ' 96' ' ' PRO . 2.0 mt -110.56 132.47 21.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 95' ' ' ILE . 54.0 Cg_endo -69.73 -50.0 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -45.14 167.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -150.23 136.0 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -47.52 -50.89 22.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.89 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.36 154.04 6.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 150.45 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.06 153.21 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 105' ' ' GLY . . . -82.87 42.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 t -59.68 83.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 103' ' ' ALA . . . 116.62 143.78 7.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -8.11 22.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 0.0 112.325 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.4 t -42.95 124.23 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.6 t -113.78 128.84 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -60.94 170.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 m -95.08 88.18 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.9 163.17 35.18 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -70.9 158.29 36.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -116.92 171.02 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' HA3' ' CD ' ' A' ' 10' ' ' GLU . . . 171.35 132.89 1.54 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -61.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -41.17 -56.25 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 5.4 pt-20 -36.22 -52.48 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 4.5 mm? -62.49 -53.05 60.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 78.0 t80 -44.03 -34.78 1.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -70.83 -45.07 65.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -69.7 -55.1 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.82 -47.53 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.62 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.04 77.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.71 -31.69 72.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -44.84 -53.57 7.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -53.17 -27.99 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.57 -12.85 66.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' HG22 ' A' ' 25' ' ' VAL . 32.9 mt -109.79 16.6 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.74 -35.78 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -71.66 -17.14 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 22' ' ' LEU . 21.3 m -108.4 -15.17 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.18 113.82 22.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.6 m -65.33 152.98 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -40.33 -34.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -76.21 -44.55 37.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -54.84 -39.83 68.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.67 -41.97 74.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.721 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -74.87 -48.03 27.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.628 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 33.9 t80 -42.41 -54.31 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.657 ' CD2' HG11 ' A' ' 83' ' ' VAL . 44.6 mt -59.79 -33.63 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 8.3 t80 -68.62 -53.31 23.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.58 -69.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.75 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 23.7 mtm-85 -59.09 -46.13 89.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -50.7 -31.44 16.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 20.9 mmmt -84.12 -28.69 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -71.36 -34.77 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.712 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -73.74 -26.22 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -87.98 -51.25 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.0 t -97.35 -64.97 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.51 -118.29 4.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 9.2 m120 -64.36 135.24 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' ASN . 21.1 t -35.94 105.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 2.4 m-80 -107.08 23.73 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.0 p -136.65 153.85 76.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 111.164 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 159.45 53.33 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 60.7 tttt -72.16 129.51 87.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.542 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.74 148.18 64.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -61.22 170.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -76.22 -36.94 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.98 -32.93 74.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -85.06 79.29 9.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -65.34 -58.51 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' PHE . 33.8 mt-10 -35.01 -59.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.23 -30.91 73.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 32.2 ttpt -51.9 -57.15 10.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.69 ' OE1' HD13 ' A' ' 32' ' ' LEU . 2.9 pt20 -54.46 -43.6 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.721 ' HG2' HD11 ' A' ' 32' ' ' LEU . 18.0 mtpt -55.89 -55.27 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.542 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 70.5 t90 -61.07 -47.21 87.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.92 -65.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.35 -52.65 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.518 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 12.7 t90 -71.93 -26.01 62.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.485 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 30.1 tptt -68.9 -41.63 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.3 -19.79 15.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.94 51.44 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.88 -40.13 52.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.75 38.03 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -93.23 -175.07 3.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.6 m -130.11 157.57 76.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.717 0.77 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -36.72 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -73.0 -20.18 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.75 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -85.61 -26.04 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.566 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 13.1 mtt -77.43 -32.38 54.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -58.81 -49.42 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.649 ' O ' HG12 ' A' ' 83' ' ' VAL . 5.0 mm-40 -72.51 -35.06 68.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 14.1 t80 -64.74 -27.76 69.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.73 ' O ' HG22 ' A' ' 84' ' ' VAL . 9.2 mt -90.0 -66.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.461 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -32.81 -55.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.675 HG13 ' H ' ' A' ' 84' ' ' VAL . 2.5 p -44.54 -58.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -49.58 -25.69 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -81.03 -31.45 34.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -68.51 -26.59 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -86.97 -46.14 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.416 ' HB2' HD22 ' A' ' 22' ' ' LEU . 9.8 t70 -121.68 91.13 48.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.815 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.77 9.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.44 45.76 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -113.09 111.88 22.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.489 ' HB2' HD11 ' A' ' 95' ' ' ILE . 76.1 m-20 -111.49 89.34 10.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.639 0.733 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.33 31.01 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -114.01 87.58 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.489 HD11 ' HB2' ' A' ' 92' ' ' ASN . 41.1 mm -87.11 131.84 43.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' A' ' 95' ' ' ILE . 53.6 Cg_endo -69.8 -45.95 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -43.94 166.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -118.44 121.46 40.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -144.86 148.48 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.63 73.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.95 167.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 103' ' ' ALA . 2.8 tp10 -99.79 121.19 40.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -37.23 -43.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.2 p -124.9 -52.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.91 -89.76 0.48 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -1.46 8.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t 69.83 53.56 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.2 t -75.8 -40.86 54.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 63.61 40.58 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -129.33 138.87 51.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.54 -115.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -108.92 109.58 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.884 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -131.4 105.62 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.26 -69.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.49 -40.02 89.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -67.09 -52.95 35.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.8 mm-40 -38.4 -50.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -61.35 -37.12 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.567 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 53.5 t80 -61.97 -30.05 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.77 -47.25 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' HE3' HD12 ' A' ' 11' ' ' LEU . 34.2 mtmt -71.51 -56.51 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -40.13 -39.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.05 -45.19 71.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.85 -25.63 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.541 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.9 t60 -78.84 -33.37 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD21 HD13 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.18 -45.65 16.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -62.03 -27.91 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.71 -14.32 63.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD11 ' CD2' ' A' ' 18' ' ' HIS . 23.4 mt -108.15 17.94 21.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.434 ' CD1' HD11 ' A' ' 31' ' ' LEU . 13.7 mm -67.65 -37.67 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -71.21 -20.34 62.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.2 m -103.5 -13.93 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.45 142.14 27.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' GLN . 73.3 m -91.37 145.08 24.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' SER . 11.2 ptp180 -35.37 -40.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mp0 -64.74 -46.77 80.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' SER . 76.1 mt-30 -60.33 -42.24 95.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.437 HD13 HD21 ' A' ' 19' ' ' LEU . 4.3 mm? -53.55 -34.72 59.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -81.29 -43.51 19.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -47.03 -34.75 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.953 HD21 HG11 ' A' ' 83' ' ' VAL . 15.1 mt -82.79 -24.29 33.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -69.14 -42.35 76.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 65' ' ' TRP . . . -62.72 -62.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.693 ' O ' HG13 ' A' ' 41' ' ' VAL . 16.5 mtp85 -50.27 -49.82 52.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 4.5 t80 -54.91 -40.28 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -76.02 -15.35 60.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -88.51 -35.24 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.907 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.0 m -76.98 -25.11 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -90.48 -52.13 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.25 -68.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.56 -132.06 9.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.33 118.33 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.0 t -38.49 125.37 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -130.53 33.67 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.1 p -130.51 150.29 75.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.529 0.68 . . . . 0.0 111.169 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 150.14 67.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 54.5 tttt -62.76 131.03 94.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.532 0.682 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.538 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.77 142.41 47.81 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.722 2.281 . . . . 0.0 112.344 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -50.28 149.53 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -56.18 -43.29 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.497 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 m-85 -57.07 -47.01 82.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.42 78.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -67.46 -57.14 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.1 mt-10 -37.82 -52.77 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.97 -19.7 77.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' PHE . 32.6 ttpt -69.2 -55.5 10.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.736 0.303 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -53.03 -47.39 68.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.632 ' HG2' HD11 ' A' ' 32' ' ' LEU . 21.6 mtpt -61.96 -43.86 97.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.538 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 85.9 t90 -62.31 -46.54 88.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -58.53 -62.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.06 -59.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.055 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.406 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 16.0 t90 -63.59 -40.75 97.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -53.08 -51.85 60.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.34 -28.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.2 mt -87.59 50.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.36 -54.59 28.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -103.86 38.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -82.8 -178.85 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m -124.99 152.98 71.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -66.21 -36.73 83.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -72.33 -21.9 61.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.907 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -80.54 -28.06 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 13.8 mtt -78.91 -30.3 44.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.09 -54.19 47.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 83' ' ' VAL . 38.5 mm-40 -75.53 -39.34 58.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 17.8 t80 -53.77 -37.76 63.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.744 ' O ' HG22 ' A' ' 84' ' ' VAL . 8.9 mt -82.59 -61.54 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.92 -56.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.953 HG11 HD21 ' A' ' 34' ' ' LEU . 2.5 p -44.27 -57.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -49.82 -25.23 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -81.2 -33.99 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -65.65 -26.5 67.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.418 HD21 HE22 ' A' ' 30' ' ' GLN . 0.8 OUTLIER -86.73 -42.57 13.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HB2' HD22 ' A' ' 22' ' ' LEU . 11.6 t70 -132.19 92.33 29.25 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.833 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -15.27 36.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.46 26.09 5.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.418 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 25.5 t90 -104.25 125.51 50.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.738 ' HB2' HD11 ' A' ' 95' ' ' ILE . 21.3 p30 -132.75 93.6 23.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -43.6 2.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.315 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -92.04 102.81 15.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' ' 92' ' ' ASN . 43.2 mm -134.2 129.32 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 111.086 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -43.21 2.79 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -52.6 156.27 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -125.31 116.68 22.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -152.17 106.47 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.89 -18.26 2.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -99.09 52.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.731 0.3 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -109.82 80.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.15 99.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.3 m -164.22 142.07 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.95 -108.43 0.69 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.31 14.69 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.8 t -96.65 103.65 15.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.8 m -55.46 167.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -69.03 133.6 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.368 . . . . 0.0 110.819 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -121.1 171.27 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.57 156.82 27.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -133.76 115.37 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -59.2 128.8 38.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.66 82.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.616 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -86.65 -34.55 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -76.27 -51.67 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.584 ' HG3' HD22 ' A' ' 11' ' ' LEU . 3.8 pt-20 -35.38 -38.92 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.584 HD22 ' HG3' ' A' ' 10' ' ' GLU . 3.7 mm? -75.53 -44.09 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 88.7 t80 -46.34 -38.99 9.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.07 -56.95 6.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -51.3 -53.17 38.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.77 -51.92 35.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.91 -47.2 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.48 69.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -76.4 -31.2 57.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 34' ' ' LEU . 1.1 tt -46.41 -48.63 18.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -55.14 -29.22 57.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.7 -14.93 62.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 88' ' ' ASP . 23.6 mt -106.44 15.27 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.95 -32.55 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.41 -21.31 56.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 23.4 m -102.66 -14.42 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -87.27 128.15 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' GLN . 62.7 m -81.33 150.07 28.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -37.78 -40.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.74 -44.39 73.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' SER . 17.0 mm-40 -58.9 -42.36 89.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.447 HD22 ' HB1' ' A' ' 26' ' ' ALA . 3.8 mm? -50.83 -43.74 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.1 tp -69.45 -54.32 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.638 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 29.9 t80 -35.63 -56.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.643 ' CD2' HG11 ' A' ' 83' ' ' VAL . 26.2 mt -58.41 -37.04 74.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.2 t80 -66.42 -47.09 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -47.63 -66.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.794 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 20.3 mtm-85 -63.14 -52.0 64.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.51 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 2.9 t80 -44.92 -41.58 7.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 17.0 mmmt -76.92 -24.89 52.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 37' ' ' ARG . 33.1 tp60 -76.33 -36.74 58.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.682 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 3.1 m -77.01 -22.95 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -90.33 -43.54 10.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 t -102.1 -66.91 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.71 -122.11 4.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -61.1 133.34 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.6 t -77.05 53.68 0.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -53.9 -29.25 41.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 p -44.83 149.94 0.77 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 147.95 64.05 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 72.7 tttt -64.95 135.14 96.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.548 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.76 155.16 66.67 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.316 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -69.42 151.75 45.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -54.22 -39.47 66.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -57.21 -61.49 2.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.79 86.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -69.77 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.5 mt-10 -35.17 -45.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.5 -36.59 43.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 19.5 ttpp -47.87 -65.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.483 ' OE1' HD13 ' A' ' 32' ' ' LEU . 4.1 pt20 -50.09 -44.87 52.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -54.58 -49.97 69.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.548 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 79.9 t90 -63.21 -46.06 88.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.13 -66.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.499 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -38.4 -53.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.444 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 14.0 t90 -70.3 -32.86 70.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -60.88 -51.04 70.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.26 -35.88 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.4 mt -83.47 53.23 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.34 -64.98 2.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.63 20.19 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.5 p -71.5 -176.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -123.02 159.64 53.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.648 0.737 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.43 ' HA ' HG12 ' A' ' 41' ' ' VAL . 54.3 Cg_endo -69.71 -50.99 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.284 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 t -62.17 -48.13 81.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -58.97 -15.67 14.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.794 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -92.34 -29.26 16.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.525 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 16.2 mtt -76.69 -26.72 55.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -63.25 -45.46 91.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.703 ' O ' HG12 ' A' ' 83' ' ' VAL . 6.5 mm-40 -77.84 -36.04 50.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 24.8 t80 -60.0 -27.35 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -89.7 -65.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.531 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.67 -56.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 79' ' ' GLU . 2.3 p -43.58 -58.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -50.45 -24.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mtpm? -75.51 -39.67 58.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.531 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -64.99 -30.86 71.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.487 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 5.0 mt -80.22 -34.27 37.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' HB2' HD22 ' A' ' 22' ' ' LEU . 15.7 t0 -133.56 93.44 21.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -101.96 48.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.426 ' CZ2' ' HG3' ' A' ' 93' ' ' PRO . 22.4 t90 -120.37 127.09 51.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -132.92 84.56 48.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.426 ' HG3' ' CZ2' ' A' ' 91' ' ' TRP . 54.2 Cg_endo -69.75 -1.94 9.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -170.18 117.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.99 130.3 30.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -46.64 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.333 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -46.02 155.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -116.64 161.5 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -90.67 127.31 36.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -52.73 -56.4 18.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -64.51 88.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.692 0.282 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -155.64 108.58 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.09 120.85 0.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.8 p -126.26 87.17 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.42 127.02 0.12 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 154.81 67.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.2 m -52.9 103.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.8 p -121.57 127.53 51.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -89.04 -47.07 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 t -163.86 161.59 23.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.26 -103.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -142.8 113.73 7.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' GLY . 8.7 t -120.36 161.95 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.65 76.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -92.02 -37.74 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -66.79 -56.27 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.694 ' HG3' HD22 ' A' ' 11' ' ' LEU . 9.7 pt-20 -38.07 -45.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.694 HD22 ' HG3' ' A' ' 10' ' ' GLU . 1.5 mm? -68.06 -37.87 81.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.544 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 83.1 t80 -57.67 -31.84 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.9 -50.09 16.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -57.53 -53.93 52.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.56 -47.65 49.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.59 -47.57 19.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.18 68.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -78.08 -31.38 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.76 -50.45 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.13 -24.42 54.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.92 -12.69 60.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 88' ' ' ASP . 23.7 mt -109.71 14.18 23.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -60.68 -33.59 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -71.34 -23.22 61.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 30.6 m -103.98 -13.42 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.93 112.01 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -68.64 155.1 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.08 -37.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.78 -50.41 36.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' NE2' HD21 ' A' ' 87' ' ' LEU . 17.6 mm-40 -50.76 -41.35 56.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.11 -46.15 72.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.613 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.7 tp -69.21 -53.39 20.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.647 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 18.8 t80 -36.91 -56.05 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.757 HD21 HG11 ' A' ' 83' ' ' VAL . 56.9 mt -61.51 -32.7 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.504 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 5.2 t80 -69.41 -43.75 72.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.23 -64.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.781 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 28.5 mtm-85 -64.33 -43.05 95.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 2.9 t80 -53.0 -36.1 60.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 22.0 mmmt -80.17 -27.15 39.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -73.64 -29.3 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.71 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -85.15 -28.5 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -86.82 -41.26 14.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.2 t -98.97 -65.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.62 -143.67 17.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ASN . 28.0 t-20 -50.05 116.85 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' ASN . 5.8 t -37.34 95.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASN . 5.3 p-10 -107.86 26.8 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 p -117.7 153.7 50.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 148.93 66.48 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 26.9 ttmt -70.93 138.81 85.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.72 162.12 43.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -66.78 171.01 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -75.76 -36.99 59.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.423 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 15.9 m-85 -70.75 -41.04 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.84 80.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -68.38 -57.33 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.8 mt-10 -36.67 -52.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.31 -26.45 65.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' PHE . 22.8 ttpp -55.23 -59.25 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.35 -49.23 61.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.613 ' HG2' HD11 ' A' ' 32' ' ' LEU . 19.8 mtpt -50.53 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 88.0 t90 -51.38 -37.9 50.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' ALA . 20.6 mt-10 -64.09 -71.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.26 -53.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -66.9 -43.97 82.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -50.34 -48.24 55.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.66 -27.44 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.72 49.73 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.83 -64.84 3.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -102.48 45.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -98.76 130.91 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -67.04 157.9 83.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.5 t -57.93 -49.22 77.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -55.38 -24.52 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -83.59 -31.09 26.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.544 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 15.0 mtt -75.22 -29.24 60.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.2 -49.61 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.771 ' O ' HG12 ' A' ' 83' ' ' VAL . 23.6 mt-10 -74.71 -33.78 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 8.1 t80 -63.02 -29.72 71.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.776 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -87.49 -66.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.579 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.81 -56.83 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.771 HG12 ' O ' ' A' ' 79' ' ' GLU . 2.0 p -43.54 -59.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -49.49 -23.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -76.85 -40.0 49.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.579 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -63.58 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 84' ' ' VAL . 6.0 mt -78.17 -40.29 38.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.572 ' HB2' HD22 ' A' ' 22' ' ' LEU . 18.9 t0 -134.54 94.55 17.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.74 -13.5 34.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.388 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.44 41.31 3.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -121.19 126.38 49.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -133.8 86.41 38.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -41.64 4.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -116.35 107.4 14.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.567 HG21 ' O ' ' A' ' 99' ' ' LYS . 2.3 mp -96.93 126.33 43.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.673 0.749 . . . . 0.0 111.088 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -49.39 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.46 ' HG2' ' CG2' ' A' ' 95' ' ' ILE . 3.4 pt-20 -47.96 171.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -92.02 43.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.567 ' O ' HG21 ' A' ' 95' ' ' ILE . 20.3 pttt -172.79 163.2 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.77 44.16 3.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -139.54 -176.74 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 103' ' ' ALA . 2.7 tt0 -77.41 132.21 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -37.6 114.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.078 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.9 m -163.19 163.05 25.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.24 83.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.422 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 170.54 16.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.0 p -99.93 115.6 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.7 t -165.32 107.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 m -156.88 173.56 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 m -41.61 115.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.52 -135.7 7.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 6' ' ' SER . 84.6 p -57.48 -50.02 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 5' ' ' SER . 42.9 t -35.45 103.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.468 ' N ' ' OE2' ' A' ' 10' ' ' GLU . . . -63.1 140.81 45.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.531 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -92.35 -36.73 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -69.7 -52.34 26.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' OE2' ' N ' ' A' ' 7' ' ' GLY . 3.4 pt-20 -35.61 -41.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.2 mm? -75.57 -45.78 35.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.518 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 79.8 t80 -46.23 -28.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -76.27 -53.76 7.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -59.28 -48.68 80.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.29 -50.96 36.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.74 -39.86 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.44 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.465 ' CD2' HD11 ' A' ' 22' ' ' LEU . 8.7 t60 -76.29 -31.04 58.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.94 -48.28 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -55.23 -31.93 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.4 -11.29 72.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 88' ' ' ASP . 50.9 mt -106.3 13.86 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.751 0.31 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.603 HD12 HD11 ' A' ' 31' ' ' LEU . 40.6 mm -65.97 -35.71 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.66 -18.93 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -110.76 -10.32 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.39 122.94 37.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ARG . 26.4 m -78.01 154.22 31.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 27' ' ' SER . 10.1 ptt85 -36.84 -51.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -56.37 -45.13 80.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.499 HE21 HD21 ' A' ' 87' ' ' LEU . 14.9 mm-40 -55.49 -51.81 65.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 23' ' ' ILE . 4.1 mm? -48.32 -42.84 32.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -71.23 -52.68 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -40.15 -40.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.787 HD21 HG11 ' A' ' 83' ' ' VAL . 17.8 mt -77.15 -31.62 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.8 t80 -62.91 -58.66 6.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CD1' ' A' ' 35' ' ' TYR . . . -44.76 -68.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.763 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 15.9 mtt-85 -46.39 -50.74 16.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.41 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.8 t80 -50.22 -48.13 54.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -67.91 -16.85 64.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -84.7 -44.47 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.674 HG12 ' HB3' ' A' ' 76' ' ' ALA . 3.4 m -69.89 -26.74 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -86.22 -52.88 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 t -90.01 -66.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.39 -141.88 13.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -55.3 115.29 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.6 t -39.35 126.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -126.15 -34.45 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.3 p -48.64 149.18 3.12 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.609 0.718 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 147.54 63.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 51.5 tttt -60.45 131.38 90.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.54 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.76 156.81 62.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.645 2.23 . . . . 0.0 112.358 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -61.47 164.86 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -74.35 -44.01 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -67.7 -13.62 62.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.39 72.15 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -65.38 -54.74 24.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' PHE . 39.9 mt-10 -35.71 -44.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.79 -20.28 37.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' PHE . 26.9 ttpt -63.64 -67.9 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -39.36 -48.6 1.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 25.2 mtpt -53.88 -57.89 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.545 ' CH2' ' HD3' ' A' ' 66' ' ' LYS . 63.1 t90 -49.94 -61.34 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' LYS . 29.8 mt-10 -42.13 -65.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -41.22 -49.29 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.495 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 16.5 t90 -74.84 -21.31 59.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 14.4 tptm -74.75 -48.06 27.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.3 -27.3 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.56 50.3 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.66 -48.92 46.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -109.02 37.45 2.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.32 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 p -93.08 -178.62 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -126.68 158.83 66.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -50.61 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.73 -32.78 74.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -73.54 -21.1 60.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.763 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -84.12 -26.7 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.466 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 12.4 mtt -75.95 -34.7 59.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.01 -58.86 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.642 ' O ' HG12 ' A' ' 83' ' ' VAL . 12.7 mt-10 -67.28 -33.11 74.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 6.2 t80 -63.09 -30.59 71.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.848 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -87.28 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.499 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.7 -55.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.787 HG11 HD21 ' A' ' 34' ' ' LEU . 2.2 p -44.95 -58.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.7 m -49.56 -22.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.072 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -79.3 -41.44 28.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -61.62 -28.68 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 84' ' ' VAL . 3.3 mt -81.1 -41.53 22.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.586 ' HB2' HD22 ' A' ' 22' ' ' LEU . 31.5 t70 -131.53 93.44 28.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.7 Cg_endo -69.77 -7.07 20.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.13 35.92 4.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -105.66 116.95 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -119.44 84.37 29.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -25.81 27.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -108.11 112.93 25.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.5 mm -125.24 125.36 25.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -50.42 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -44.04 154.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -81.68 0.7 37.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -175.98 164.86 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.95 40.39 1.02 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -132.71 142.21 48.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -87.2 84.85 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.32 92.81 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 t 49.58 39.3 16.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -65.55 175.35 16.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -173.39 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.1 m -107.51 -47.36 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 m -60.55 146.27 45.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 3' ' ' SER . 74.4 p -50.35 166.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.849 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 2' ' ' SER . 28.0 m -36.51 121.35 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.61 68.94 0.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -122.43 160.88 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 t -94.39 99.13 11.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.34 112.42 3.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -91.02 -38.48 12.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.11 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HG3' HD22 ' A' ' 11' ' ' LEU . 3.0 pt-20 -42.28 -37.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.577 HD22 ' HG3' ' A' ' 10' ' ' GLU . 3.0 mm? -80.3 -42.04 23.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.54 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 72.0 t80 -49.59 -41.16 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.74 -55.33 20.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -55.55 -57.24 12.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.2 -49.04 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.6 -46.71 19.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.31 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.45 -32.26 68.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tt -45.79 -52.06 11.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -54.49 -29.43 50.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.54 -12.89 66.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.562 HD22 ' HB2' ' A' ' 88' ' ' ASP . 27.7 mt -107.89 16.85 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.8 mm -68.61 -33.86 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.16 -16.89 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -107.69 -19.41 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.83 149.02 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ARG . 26.6 m -103.88 154.28 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' SER . 13.9 ptp180 -34.93 -43.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.26 -63.63 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -43.72 -50.13 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -46.55 -34.08 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -84.61 -46.8 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -46.79 -37.47 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.779 HD21 HG11 ' A' ' 83' ' ' VAL . 19.7 mt -81.02 -23.62 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.55 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.2 t80 -72.89 -45.9 55.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.553 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -60.08 -64.7 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.706 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 14.6 mtp85 -49.65 -42.82 46.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 5.6 t80 -59.08 -45.02 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -71.25 -13.88 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 40.5 tp60 -87.01 -40.26 14.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 37' ' ' ARG . 2.1 m -71.08 -25.86 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -89.45 -51.82 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 t -87.42 -68.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.25 -102.35 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -81.37 111.95 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.9 t -41.48 113.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.78 37.31 4.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 p -121.76 146.72 46.48 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.56 0.695 . . . . 0.0 111.172 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.42 48.0 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -54.03 129.74 58.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.79 155.08 66.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.301 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -54.8 156.84 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -68.29 -42.69 79.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.501 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 9.9 m-85 -66.03 -33.24 75.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.1 76.41 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.501 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -66.3 -57.28 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -38.14 -46.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.66 -22.63 59.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 56' ' ' PHE . 25.1 ttpp -67.04 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -39.35 -50.65 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 84.4 mttt -57.17 -62.38 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 85.6 t90 -43.97 -44.22 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 66' ' ' LYS . 18.0 mt-10 -60.38 -68.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -34.12 -53.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -71.27 -37.4 71.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' GLU . 20.2 tptt -55.72 -39.74 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.95 73.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.474 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 10.9 mt -80.13 53.44 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.46 -26.46 47.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -123.43 25.42 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -90.8 -175.65 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -123.67 158.58 58.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.53 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -63.52 -37.37 87.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -69.57 -20.64 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.706 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -83.02 -29.59 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.558 ' HB2' HD12 ' A' ' 8' ' ' LEU . 31.1 mtt -74.57 -34.73 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.24 -56.19 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.74 ' O ' HG12 ' A' ' 83' ' ' VAL . 5.3 mm-40 -71.59 -34.98 70.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.8 t80 -60.03 -31.92 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.77 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.5 mt -85.76 -64.9 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.72 -56.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.779 HG11 HD21 ' A' ' 34' ' ' LEU . 2.1 p -44.0 -57.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -51.21 -23.81 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -76.07 -38.0 57.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.431 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.62 -31.0 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 84' ' ' VAL . 5.3 mt -75.46 -46.04 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.562 ' HB2' HD22 ' A' ' 22' ' ' LEU . 23.0 t70 -127.95 101.85 22.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.621 0.724 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.6 Cg_endo -69.82 -18.51 36.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.313 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.57 50.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.499 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 17.0 t90 -106.38 124.88 50.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -122.28 88.45 48.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.566 0.698 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.499 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 54.0 Cg_endo -69.76 -28.11 25.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -97.4 85.2 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.64 125.98 29.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -44.99 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -41.42 150.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -108.15 126.39 52.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 98' ' ' LYS . 17.5 ptmt 36.72 48.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.03 42.8 1.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -127.27 144.8 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.93 156.78 29.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -164.22 158.88 19.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.5 m -140.18 169.16 18.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.818 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.99 -156.26 45.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 171.35 14.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.345 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.4 p -133.63 -179.38 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.7 t -117.59 133.9 55.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 p -172.56 152.24 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 m -130.9 -48.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.8 112.9 1.29 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -99.89 -53.35 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.3 p -87.04 138.89 31.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.69 44.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -53.83 -45.18 70.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 0.0 110.921 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -48.03 -60.3 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . 29.1 mm-40 -35.2 -53.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' PHE . 1.6 mm? -63.88 -53.15 54.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.691 ' N ' HD11 ' A' ' 81' ' ' ILE . 67.4 t80 -36.42 -36.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.47 -54.77 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -48.86 -51.95 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.3 -50.37 67.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.1 -45.94 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -29.48 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.464 ' CD2' HD11 ' A' ' 22' ' ' LEU . 9.6 t60 -76.6 -29.89 56.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.5 -47.49 27.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -57.11 -27.03 61.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.44 -11.97 63.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 88' ' ' ASP . 25.6 mt -108.86 13.45 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.42 HD13 HD11 ' A' ' 31' ' ' LEU . 19.4 mm -63.19 -34.77 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -72.07 -22.22 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -103.73 -13.06 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.19 123.28 39.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 p -74.79 156.88 36.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 29' ' ' GLU . 3.0 ppt_? -43.61 -34.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 27.0 mt-10 -72.37 -44.87 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.57 -35.99 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.42 HD11 HD13 ' A' ' 23' ' ' ILE . 3.8 mm? -62.57 -34.47 77.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 64' ' ' ALA . 1.7 tp -78.33 -42.93 29.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -49.24 -38.94 28.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.053 HD21 HG11 ' A' ' 83' ' ' VAL . 22.3 mt -83.39 -20.18 34.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 2.7 t80 -76.12 -48.16 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 65' ' ' TRP . . . -57.79 -61.02 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.746 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 36.7 mtt-85 -53.45 -44.56 68.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -56.43 -33.89 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -80.91 -20.34 42.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 5.0 tp-100 -80.79 -32.2 35.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 37' ' ' ARG . 2.8 m -81.43 -22.87 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -97.18 -52.65 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 t -86.22 -68.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.91 -147.51 18.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -44.56 125.99 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.6 t -46.17 118.54 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.27 39.73 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.4 p -136.03 152.88 76.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.633 0.73 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 148.39 64.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -68.44 138.14 91.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' CG ' ' HA ' ' A' ' 59' ' ' LYS . 53.8 Cg_endo -69.7 164.96 32.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -85.04 147.19 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -46.08 -40.49 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -57.97 -55.28 36.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.7 83.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -67.92 -60.27 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' PHE . 25.5 mt-10 -36.52 -44.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.41 -30.65 48.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' PHE . 21.1 ttpp -53.79 -64.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -50.91 -46.85 60.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -53.82 -60.1 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.468 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 80.4 t90 -53.73 -45.0 70.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 66' ' ' LYS . 32.5 mt-10 -58.69 -69.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 32' ' ' LEU . . . -35.92 -52.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.461 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 15.3 t90 -72.28 -31.01 65.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 63' ' ' GLU . 42.9 tptt -62.64 -40.69 97.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.04 -30.72 60.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 55.6 mt -84.76 52.35 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.04 -75.48 0.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -112.23 51.17 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 m -90.85 135.03 34.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -63.0 154.0 78.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' O ' HG12 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.78 -50.15 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 p -58.58 -48.79 79.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -55.8 -21.5 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.746 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -87.17 -30.95 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.488 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 6.1 mtt -74.02 -32.73 63.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.21 -45.97 86.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.824 ' O ' HG12 ' A' ' 83' ' ' VAL . 59.7 mm-40 -76.99 -42.97 36.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 2.4 t80 -54.46 -32.49 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.82 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.7 mt -86.55 -65.7 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.538 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.82 -56.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.053 HG11 HD21 ' A' ' 34' ' ' LEU . 2.3 p -44.72 -58.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.5 m -48.36 -22.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -79.76 -35.78 38.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.459 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.68 -29.42 69.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -79.92 -39.67 29.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.497 ' HB2' HD22 ' A' ' 22' ' ' LEU . 26.1 t0 -134.12 92.13 22.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.919 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.67 2.82 3.14 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.78 33.73 6.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.3 t90 -108.0 135.75 48.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -138.06 120.21 10.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.584 0.707 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.42 ' HB3' HD12 ' A' ' 11' ' ' LEU . 53.6 Cg_endo -69.72 -31.79 20.01 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.722 2.282 . . . . 0.0 112.32 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -84.91 84.96 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 40.1 mm -126.22 123.62 24.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -35.69 12.26 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -46.9 156.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -110.56 87.12 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -138.71 121.77 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.26 125.16 5.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -77.88 -65.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.723 0.297 . . . . 0.0 110.887 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 60.02 54.29 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 101' ' ' LYS . . . -47.26 116.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.6 t -64.13 162.19 14.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.14 164.16 33.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.37 44.93 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.659 2.24 . . . . 0.0 112.342 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.4 p -146.47 134.04 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.4 m -116.06 175.9 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -124.86 129.54 50.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 p -117.49 78.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.21 -153.06 7.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m 42.99 49.76 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -97.95 81.81 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.04 100.84 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.475 HD21 ' HG2' ' A' ' 78' ' ' GLN . 0.2 OUTLIER -80.87 -65.71 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -46.69 -53.12 12.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -35.94 -58.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -56.97 -54.43 46.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 38' ' ' TYR . 83.8 t80 -34.28 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' LEU . 10.4 mm-40 -76.72 -46.07 26.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.77 -56.54 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.561 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -42.33 -41.4 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.86 65.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -31.94 73.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.434 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.0 t60 -71.3 -33.59 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.455 HD21 HD13 ' A' ' 31' ' ' LEU . 1.5 tt -44.13 -53.34 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -55.18 -27.48 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.89 -11.52 67.72 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 88' ' ' ASP . 29.8 mt -111.32 15.84 21.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.542 ' CD1' HD11 ' A' ' 31' ' ' LEU . 20.6 mm -64.07 -33.42 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -74.0 -21.09 60.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 27.5 m -104.39 -15.09 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.03 128.6 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 28' ' ' ARG . 65.3 m -77.2 146.61 36.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' SER . 3.5 ptp180 -35.34 -41.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.46 -50.81 63.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' SER . 20.1 mt-30 -52.24 -43.43 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.542 HD11 ' CD1' ' A' ' 23' ' ' ILE . 4.3 mm? -51.21 -42.03 60.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.8 tp -74.86 -46.03 39.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -43.59 -39.91 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.915 HD21 HG11 ' A' ' 83' ' ' VAL . 19.9 mt -77.12 -28.37 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.7 t80 -67.92 -49.45 61.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.69 -66.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.566 ' O ' HG13 ' A' ' 41' ' ' VAL . 19.1 mtp85 -47.33 -51.36 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 17.9 t80 -52.76 -44.5 66.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -71.91 -13.01 61.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -89.02 -40.91 12.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.865 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.7 m -70.48 -25.78 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -89.68 -48.59 7.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.8 t -94.95 -65.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.88 -128.12 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -59.08 114.58 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.4 t -56.94 97.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -89.07 -38.71 14.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.7 p -40.19 146.17 0.43 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 154.95 67.02 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.276 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 60.0 tttt -62.55 134.3 95.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.533 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.73 171.15 14.96 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -71.47 153.09 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -63.86 -40.27 96.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.83 -42.12 81.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -67.53 80.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -65.93 -61.12 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' PHE . 24.9 mt-10 -34.93 -51.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.52 -33.68 47.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 28.7 ttpp -56.16 -64.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.714 0.293 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -47.4 -42.35 21.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -60.19 -56.37 22.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.548 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 86.6 t90 -55.55 -46.5 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' LYS . 19.2 mt-10 -55.19 -68.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -38.97 -50.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.489 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 14.9 t90 -74.8 -24.82 58.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.548 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.0 tptt -70.32 -45.23 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.1 -20.08 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.82 51.2 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.89 -50.17 49.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -109.09 40.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 m -88.69 -178.28 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -125.57 156.15 71.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.708 0.766 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.13 -40.79 90.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.39 -24.92 65.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.865 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -80.65 -25.23 38.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.504 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.7 mtm -82.26 -27.99 32.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.475 ' HG2' HD21 ' A' ' 8' ' ' LEU . 34.3 mt-30 -60.58 -52.33 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 83' ' ' VAL . 77.8 mm-40 -76.22 -33.96 59.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.4 t80 -61.59 -36.34 80.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.605 HD11 ' N ' ' A' ' 12' ' ' PHE . 5.3 mt -82.79 -62.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.48 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.51 -57.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.915 HG11 HD21 ' A' ' 34' ' ' LEU . 2.2 p -39.47 -59.74 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.7 ' H ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -48.78 -32.51 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 82' ' ' ALA . 6.3 mtmt -74.13 -34.42 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -64.2 -29.09 70.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.62 -42.14 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.516 ' HB2' HD22 ' A' ' 22' ' ' LEU . 15.4 t70 -134.51 95.21 16.32 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.809 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.0 Cg_endo -69.8 -20.28 34.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.01 40.9 3.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 6.4 t90 -103.89 119.69 39.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.565 ' CB ' HD11 ' A' ' 95' ' ' ILE . 59.9 m-20 -116.32 96.71 48.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -41.32 4.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -94.62 102.53 14.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.565 HD11 ' CB ' ' A' ' 92' ' ' ASN . 21.7 mm -120.84 129.71 25.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -41.81 3.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.397 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -55.85 141.83 37.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -81.06 136.89 36.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -55.81 150.44 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 102.32 114.93 3.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.51 145.55 29.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.311 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 47.43 28.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.77 -51.11 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.3 t -148.39 178.82 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -128.59 159.13 21.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 107' ' ' SER . 53.4 Cg_endo -69.81 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.375 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' PRO . 19.9 m -35.52 137.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.2 t -128.5 142.24 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.497 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -150.82 165.27 34.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -65.01 125.41 24.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -72.8 -121.03 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 63.9 m 36.9 48.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.842 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 m -98.97 139.05 35.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.62 75.63 1.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.87 -47.22 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.36 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -56.72 -53.87 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' HG3' HD22 ' A' ' 11' ' ' LEU . 2.1 pt-20 -35.63 -39.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.444 HD22 ' HG3' ' A' ' 10' ' ' GLU . 4.1 mm? -74.07 -46.69 41.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 81.5 t80 -45.1 -37.77 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.67 -55.94 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -56.73 -55.49 33.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.72 -51.1 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.39 -44.04 34.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.56 75.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.6 t60 -71.16 -35.41 71.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 34' ' ' LEU . 2.2 tt -41.45 -52.95 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -50.74 -34.37 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -83.75 -14.72 72.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.537 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 88' ' ' ASP . 36.2 mt -106.32 13.87 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.336 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.7 mm -64.52 -30.43 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.04 -21.0 55.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 22' ' ' LEU . 27.4 m -101.93 -16.59 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.33 131.49 37.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' GLN . 1.5 m -84.04 151.75 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.795 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.0 ptp180 -36.37 -45.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.833 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.19 -42.71 96.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.574 HE22 HD21 ' A' ' 87' ' ' LEU . 10.0 mt-30 -60.92 -36.08 78.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.18 -47.0 86.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.4 tp -63.75 -50.64 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.727 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 28.7 t80 -41.8 -45.88 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.87 HD23 ' NH2' ' A' ' 37' ' ' ARG . 30.0 mt -70.84 -27.21 63.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 5.4 t80 -72.85 -53.84 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.67 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.08 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.87 ' NH2' HD23 ' A' ' 34' ' ' LEU . 80.1 mtm180 -51.27 -50.88 58.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.414 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 10.1 t80 -47.56 -31.2 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -82.32 -30.14 30.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -75.92 -27.39 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.754 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 3.2 m -87.48 -26.31 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 43.0 mmtt -93.26 -52.32 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.1 t -82.29 -69.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.42 -118.38 2.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' ASN . 12.3 m120 -80.29 123.98 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.9 t -53.89 85.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' ASN . 10.0 p30 -99.48 30.87 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 p -111.27 148.69 39.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 111.174 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 155.16 66.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.236 . . . . 0.0 112.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -67.6 128.44 93.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.541 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.76 136.04 31.98 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -48.96 142.39 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 53' ' ' PHE . 5.4 t80 -50.16 -37.94 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 4.0 m-85 -57.52 -42.84 83.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -77.43 83.19 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -71.05 -58.47 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' PHE . 25.4 mt-10 -36.95 -42.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.66 -27.34 32.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 56' ' ' PHE . 22.5 ttpp -54.19 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 110.836 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -40.45 -55.67 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 7.0 mttp -49.27 -65.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.541 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 68.0 t90 -41.96 -47.87 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' LYS . 35.7 mt-10 -60.91 -71.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.48 -51.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.455 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.2 t90 -70.78 -33.7 71.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' GLU . 41.6 tptt -60.53 -44.61 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.25 -30.02 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.1 mt -81.31 52.91 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.12 -76.3 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -104.33 52.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.2 m -93.26 147.79 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -87.28 158.28 52.42 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.708 0.766 . . . . 0.0 110.818 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -50.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -34.87 74.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.38 -23.38 63.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.796 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -86.64 -26.82 24.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.551 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 13.6 mtt -80.18 -35.48 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.12 -53.19 54.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.508 ' C ' ' NH1' ' A' ' 37' ' ' ARG . 6.3 mm-40 -75.48 -38.94 59.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.55 ' N ' ' NH1' ' A' ' 37' ' ' ARG . 6.5 t80 -50.7 -32.71 20.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.736 ' O ' HG22 ' A' ' 84' ' ' VAL . 9.4 mt -84.78 -60.57 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.91 -57.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.758 HG11 HD21 ' A' ' 34' ' ' LEU . 2.8 p -44.04 -57.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -49.19 -25.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.185 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -80.64 -34.33 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -65.75 -25.75 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.574 HD21 HE22 ' A' ' 30' ' ' GLN . 0.5 OUTLIER -90.02 -40.77 12.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.538 ' HB2' HD22 ' A' ' 22' ' ' LEU . 15.8 t0 -132.32 92.21 29.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.635 0.731 . . . . 0.0 110.862 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -27.13 26.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.23 44.42 2.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.42 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 14.3 t90 -116.27 122.04 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -122.66 90.95 49.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 53.8 Cg_endo -69.75 -29.41 23.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -139.44 115.53 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.41 HG23 ' HD2' ' A' ' 96' ' ' PRO . 3.9 mp -107.84 132.62 20.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.41 ' HD2' HG23 ' A' ' 95' ' ' ILE . 53.9 Cg_endo -69.77 -49.89 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -49.91 167.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -140.95 134.87 30.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -65.59 101.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 112.28 66.72 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 102' ' ' GLU . 18.9 mmtp -126.11 92.15 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' LYS . 27.0 mt-10 -35.16 -52.21 0.58 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -167.75 142.59 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 t -124.47 83.57 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -116.23 -158.31 11.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 107' ' ' SER . 53.6 Cg_endo -69.72 1.22 4.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.356 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 106' ' ' PRO . 2.1 m -37.28 151.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 61.9 p -41.63 -50.19 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -113.21 148.74 34.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -68.93 164.13 22.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.33 46.67 92.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -139.38 149.55 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -174.82 124.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.73 46.64 1.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -41.17 -41.54 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -52.9 -61.78 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' ALA . 56.4 mm-40 -35.42 -58.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.511 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.9 mm? -52.99 -54.84 29.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.553 ' N ' HD11 ' A' ' 81' ' ' ILE . 91.3 t80 -40.19 -29.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -74.93 -49.39 20.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -54.34 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -45.19 -49.76 11.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.19 -49.59 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.7 -32.54 67.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.7 ' CD2' HD11 ' A' ' 22' ' ' LEU . 3.6 t60 -70.45 -34.5 72.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.97 -53.74 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -53.97 -30.5 47.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.49 -13.49 65.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.7 HD11 ' CD2' ' A' ' 18' ' ' HIS . 44.7 mt -107.69 17.43 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.318 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -66.67 -41.44 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -65.51 -18.75 65.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 22' ' ' LEU . 34.3 m -106.03 -20.64 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.28 125.05 32.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' GLN . 52.8 m -75.8 150.14 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 10.1 ptp180 -38.06 -41.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 10.6 mt-10 -69.53 -41.77 75.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.513 HE22 HD21 ' A' ' 87' ' ' LEU . 29.6 mt-30 -59.57 -29.49 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -41.7 81.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.26 -41.08 77.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -50.21 -42.74 52.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.046 HD21 HG11 ' A' ' 83' ' ' VAL . 25.9 mt -80.63 -15.78 55.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -76.98 -41.28 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -66.41 -62.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.624 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 21.0 mtp85 -51.42 -46.92 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 4.0 t80 -59.67 -38.96 82.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -73.82 -12.83 60.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -90.97 -46.9 7.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.64 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 4.4 m -64.71 -21.53 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -94.77 -51.84 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -91.03 -60.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.27 -138.91 12.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 69' ' ' GLY . 1.2 m120 -63.39 115.94 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ASN . 7.7 t -35.92 119.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.7 38.4 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.1 p -130.57 144.42 53.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.85 63.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -53.46 127.8 50.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.536 0.684 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.546 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.7 159.06 54.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.268 . . . . 0.0 112.376 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -52.4 156.26 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 16.2 t80 -70.13 -19.1 63.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -79.39 -57.56 3.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -58.46 86.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -67.93 -56.11 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' PHE . 26.0 mt-10 -37.61 -47.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.95 -31.67 47.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' PHE . 18.3 ttpp -58.06 -66.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -44.81 -47.53 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 87.6 mttt -59.74 -56.87 16.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.546 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 53.1 t90 -45.24 -51.44 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LYS . 38.9 mt-10 -59.13 -66.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -36.73 -53.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.7 t90 -71.52 -31.28 66.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' GLU . 48.6 tptt -62.43 -48.18 80.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.27 -32.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.4 mt -83.81 50.07 1.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.495 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -52.01 -73.83 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.469 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.63 51.35 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -99.13 149.52 22.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -80.43 157.79 72.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.512 ' O ' HG12 ' A' ' 41' ' ' VAL . 53.1 Cg_endo -69.83 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 p -58.17 -45.03 88.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -59.06 -22.76 61.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -87.23 -27.78 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.85 -25.64 40.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.06 -46.4 89.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.682 ' O ' HG12 ' A' ' 83' ' ' VAL . 9.1 mm-40 -78.99 -41.94 27.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 2.6 t80 -52.47 -33.71 45.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.787 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -84.92 -63.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.461 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.69 -56.88 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.046 HG11 HD21 ' A' ' 34' ' ' LEU . 2.3 p -44.33 -57.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.787 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -49.67 -23.79 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -77.99 -36.35 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -67.61 -28.61 67.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.513 HD21 HE22 ' A' ' 30' ' ' GLN . 3.3 mt -81.82 -43.04 18.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 16.9 t70 -131.55 96.97 19.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.3 Cg_endo -69.65 -19.44 36.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.716 2.277 . . . . 0.0 112.41 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.92 42.49 3.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.417 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 29.0 t90 -121.13 124.81 45.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 85.9 m-20 -135.01 90.73 20.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.729 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 92' ' ' ASN . 54.0 Cg_endo -69.7 -24.15 30.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -143.26 116.39 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.51 126.97 28.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -46.24 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -51.22 157.15 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -114.94 166.9 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -85.95 35.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.51 116.19 4.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -64.62 111.74 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 44.28 42.88 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.53 92.04 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.0 m -134.2 142.36 47.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -168.04 70.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 91.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.1 m 57.92 42.62 22.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.8 m -113.42 101.66 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -49.72 170.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -124.93 111.04 14.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.44 -116.52 7.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -114.6 172.41 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -121.6 132.37 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.38 130.33 13.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -92.93 -46.04 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.72 -43.24 72.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 4.6 pt-20 -46.57 -42.81 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 4.3 mm? -68.5 -48.56 64.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 92.5 t80 -43.75 -39.91 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.06 -56.31 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -54.07 -56.62 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.6 -45.89 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.55 -46.58 57.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.3 72.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -73.89 -31.58 63.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -45.42 -51.51 11.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -55.04 -27.71 46.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.33 -14.95 63.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CA ' HG22 ' A' ' 25' ' ' VAL . 19.1 mt -107.46 19.62 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -68.27 -35.48 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.77 -19.17 59.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.435 HG22 ' CA ' ' A' ' 22' ' ' LEU . 32.6 m -103.46 -18.14 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.74 126.17 34.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' GLN . 3.4 t -74.6 148.7 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -38.03 -35.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -73.68 -43.37 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.606 ' NE2' HD21 ' A' ' 87' ' ' LEU . 67.2 mt-30 -59.7 -33.15 71.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.52 -37.08 82.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.696 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.3 tp -76.67 -51.92 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.645 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 44.1 t80 -37.46 -52.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.66 ' CD2' HG11 ' A' ' 83' ' ' VAL . 54.6 mt -58.67 -36.55 74.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 7.5 t80 -65.95 -53.24 41.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -40.62 -71.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.753 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 19.5 mtm-85 -58.85 -48.34 81.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.7 t80 -47.28 -33.06 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 15.1 mmmt -82.9 -31.03 28.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -70.62 -30.7 67.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.813 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.9 m -77.26 -22.83 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -93.16 -50.63 5.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -91.18 -70.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.52 -125.56 5.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -61.96 112.98 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 t -47.11 95.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -104.57 37.24 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 p -121.8 150.88 56.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 151.77 69.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.226 . . . . 0.0 112.371 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 54.4 tttt -64.76 135.05 96.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.543 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.8 150.53 68.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 t -65.15 156.05 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.99 -48.07 79.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.477 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 6.0 m-85 -50.71 -49.5 57.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.14 75.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -64.14 -54.27 36.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -42.55 -56.7 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.42 -27.62 73.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 22.5 ttpt -56.13 -58.6 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.72 0.295 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -54.02 -47.41 71.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.696 ' HG2' HD11 ' A' ' 32' ' ' LEU . 27.7 mtpt -54.29 -60.43 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.543 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.7 t90 -50.19 -42.04 50.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -60.53 -66.92 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -41.38 -53.27 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -68.21 -34.19 75.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -60.86 -39.1 87.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.08 65.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -87.88 54.72 3.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.62 -38.35 28.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.446 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -113.71 34.74 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -95.06 -179.65 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -125.67 161.18 52.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -70.93 -21.81 62.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.813 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -82.15 -28.62 32.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 26.8 mtt -75.43 -36.71 60.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -53.25 -44.19 67.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.637 ' O ' HG12 ' A' ' 83' ' ' VAL . 41.0 mt-10 -81.04 -36.54 30.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 29.2 t80 -61.07 -29.07 69.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.613 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.0 mt -88.05 -65.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.172 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.634 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.62 -57.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.695 HG13 ' H ' ' A' ' 84' ' ' VAL . 1.8 p -38.53 -60.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.695 ' H ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -49.34 -31.76 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' ALA . 44.5 mtpt -67.41 -33.47 75.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.634 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.25 -37.25 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.606 HD21 ' NE2' ' A' ' 30' ' ' GLN . 12.0 mt -68.03 -51.27 48.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.415 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 26.3 t70 -117.7 95.63 48.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.9 Cg_endo -69.78 1.75 4.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.42 21.98 25.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.466 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 24.2 t90 -89.06 132.73 34.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.586 ' CA ' HD13 ' A' ' 95' ' ' ILE . 14.4 p-10 -134.23 84.76 40.8 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 53.7 Cg_endo -69.76 -46.57 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.324 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.836 ' C ' HD12 ' A' ' 95' ' ' ILE . 30.0 tt0 -134.82 72.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.836 HD12 ' C ' ' A' ' 94' ' ' GLN . 2.9 mp -133.57 122.91 17.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -29.04 24.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.48 151.74 31.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -96.17 90.82 5.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -174.98 134.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 120.15 -102.46 0.88 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -153.04 130.41 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 103' ' ' ALA . 12.9 tp10 -169.8 153.58 4.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 102' ' ' GLU . . . -70.88 137.21 49.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.0 p -76.02 132.63 40.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.427 ' HA2' ' HD2' ' A' ' 106' ' ' PRO . . . -155.74 102.29 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.427 ' HD2' ' HA2' ' A' ' 105' ' ' GLY . 54.4 Cg_endo -69.71 2.73 3.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' PRO . 33.7 t -35.52 136.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.0 p -148.32 170.22 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -120.25 -52.94 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.921 0.391 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 t -70.58 108.78 4.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.09 47.81 6.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 m -45.29 127.59 7.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.891 0.377 . . . . 0.0 110.917 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m 38.26 41.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.24 49.69 1.12 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 77' ' ' MET . 1.1 tm? -83.69 -51.72 7.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -52.82 -55.89 19.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.075 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' HG3' HD22 ' A' ' 11' ' ' LEU . 7.0 pt-20 -35.44 -51.02 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD22 ' HG3' ' A' ' 10' ' ' GLU . 4.0 mm? -63.06 -55.52 24.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.534 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.2 t80 -43.95 -37.97 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.57 -53.97 39.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -60.62 -56.05 25.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.45 -51.39 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.59 -45.54 18.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.02 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.755 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.4 t60 -80.34 -33.38 37.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.453 ' HG ' ' CD1' ' A' ' 34' ' ' LEU . 1.2 tt -44.64 -45.96 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -62.53 -29.97 70.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -88.27 -9.04 70.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.755 HD11 ' CD2' ' A' ' 18' ' ' HIS . 47.4 mt -111.97 13.91 20.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 31' ' ' LEU . 32.1 mm -63.76 -35.32 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -70.55 -20.8 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 m -104.66 -18.53 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.25 126.12 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ARG . 71.2 m -80.25 156.41 26.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' SER . 25.1 mmt180 -34.07 -52.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -54.7 -60.4 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -39.02 -55.92 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.406 HD11 HD12 ' A' ' 23' ' ' ILE . 3.5 mm? -43.7 -39.39 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.7 tp -82.21 -52.04 7.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -40.43 -38.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.865 HD21 HG11 ' A' ' 83' ' ' VAL . 37.9 mt -75.65 -34.05 60.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.587 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -63.33 -44.25 95.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -55.89 -63.46 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.08 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.647 ' O ' HG13 ' A' ' 41' ' ' VAL . 65.3 mtt-85 -59.63 -50.47 73.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.551 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.9 t80 -51.45 -44.36 62.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 22.8 mmmt -73.08 -19.72 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 40.2 tp60 -81.41 -33.75 32.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.848 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.2 m -76.76 -26.12 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -87.68 -49.94 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.0 t -89.65 -65.82 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.7 -116.67 3.63 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' CYS . 9.4 m120 -73.09 104.63 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.856 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' ASN . 45.1 t -38.18 112.28 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -123.91 36.46 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 p -116.95 150.81 46.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 143.56 50.95 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.688 2.259 . . . . 0.0 112.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -55.87 135.96 72.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.534 0.683 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.84 175.57 8.0 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -75.79 164.03 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.86 -30.85 40.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -81.08 -15.7 55.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.29 82.24 3.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -66.92 -56.88 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' PHE . 18.1 mt-10 -37.03 -45.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.39 -22.93 49.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' PHE . 28.9 ttpt -66.71 -60.26 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -49.75 -53.44 24.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.587 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 25.9 mtpt -51.97 -56.38 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.552 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 90.3 t90 -53.17 -43.06 66.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' LYS . 26.0 mt-10 -58.83 -70.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -34.16 -54.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -68.77 -35.23 76.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.6 tptt -57.93 -44.21 86.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.85 -21.86 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.458 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 22.6 mt -91.69 50.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.34 -38.58 53.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -112.35 31.15 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 m -86.41 -179.54 6.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -125.45 155.92 71.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.83 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -34.42 77.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -76.73 -16.33 59.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.848 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -89.57 -22.81 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.543 ' HB2' HD11 ' A' ' 8' ' ' LEU . 16.8 mtt -78.47 -42.4 29.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -49.59 -54.3 19.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HB2' ' CD ' ' A' ' 37' ' ' ARG . 78.5 mm-40 -67.42 -43.08 82.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 6.7 t80 -55.21 -34.28 63.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.688 ' O ' HG22 ' A' ' 84' ' ' VAL . 10.2 mt -82.83 -62.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -32.72 -54.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.865 HG11 HD21 ' A' ' 34' ' ' LEU . 2.8 p -46.68 -56.67 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.1 m -49.93 -26.7 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -79.8 -33.11 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.477 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -66.66 -26.31 66.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -88.18 -44.63 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.655 ' HB2' HD22 ' A' ' 22' ' ' LEU . 11.3 t0 -128.17 88.58 52.44 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.75 14.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.72 33.8 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.527 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TRP . . . . . 0.509 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 8.2 t90 -104.28 112.38 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -108.62 88.85 5.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 53.4 Cg_endo -69.78 -11.75 31.44 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.238 . . . . 0.0 112.345 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -132.33 90.59 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.5 mm -88.8 125.7 61.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -29.51 23.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.481 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 26.3 tt0 -53.97 152.19 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.481 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 5.0 mmtp -141.3 162.57 35.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -55.53 128.73 35.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.06 -57.77 2.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -66.59 110.65 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -106.52 109.32 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.39 94.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 t 73.38 35.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -116.89 96.03 0.69 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.513 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.01 15.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.28 . . . . 0.0 112.369 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.5 p -60.97 158.42 13.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 t -54.33 149.52 9.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 3' ' ' SER . 16.0 m -146.55 131.24 17.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 2' ' ' SER . 30.3 t -36.99 -54.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.96 98.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -62.25 115.02 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -78.37 160.24 27.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.86 73.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 8' ' ' LEU . 1.2 tm? -87.68 -66.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -36.35 -58.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.595 ' HG3' HD22 ' A' ' 11' ' ' LEU . 9.9 pt-20 -35.71 -47.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.595 HD22 ' HG3' ' A' ' 10' ' ' GLU . 3.4 mm? -65.97 -52.53 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.647 ' CZ ' ' CD2' ' A' ' 38' ' ' TYR . 72.7 t80 -39.51 -37.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -71.89 -56.79 5.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -53.05 -54.4 35.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.67 -46.99 20.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.49 -48.09 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.58 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.443 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.7 t60 -74.7 -30.41 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -46.49 -52.26 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -57.89 -23.56 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.49 -10.81 63.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.443 HD11 ' CD2' ' A' ' 18' ' ' HIS . 37.6 mt -112.43 19.02 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.58 -33.72 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -73.02 -17.44 61.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.9 m -109.76 -15.27 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -88.26 132.09 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.403 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -82.98 151.14 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 10.6 ptt180 -40.07 -35.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 2.2 mm-40 -75.72 -45.5 36.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -56.75 -36.27 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.432 HD22 ' HB1' ' A' ' 26' ' ' ALA . 4.2 mm? -60.7 -42.43 97.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.0 tp -73.04 -43.8 61.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -45.63 -37.96 6.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.973 HD21 HG11 ' A' ' 83' ' ' VAL . 24.1 mt -80.83 -28.38 36.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.59 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.8 t80 -66.97 -51.27 57.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.421 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -53.52 -64.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.075 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.603 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 37.3 mtt-85 -53.44 -49.17 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.647 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 8.6 t80 -58.84 -33.41 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 17.8 mmmt -79.45 -13.3 59.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 3.3 tp-100 -94.77 -23.48 17.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 37' ' ' ARG . 4.9 m -88.65 -28.03 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 3.7 mmpt? -86.68 -53.37 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.7 t -87.83 -66.6 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.2 -143.5 15.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.51 112.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 t -46.35 125.58 6.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -127.04 -37.7 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.1 p -40.83 154.55 0.21 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 147.0 61.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -66.7 134.83 94.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.3 Cg_endo -69.76 152.7 69.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -70.65 158.7 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -57.51 -45.88 84.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 m-85 -54.63 -46.66 73.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.76 75.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -63.64 -59.14 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -37.52 -57.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.28 -28.52 73.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 26.6 ttpp -56.18 -56.23 23.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.412 ' OE1' HD13 ' A' ' 32' ' ' LEU . 4.6 pt20 -56.63 -45.67 81.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.59 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 28.4 mtpt -56.64 -60.41 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.48 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.3 t90 -54.51 -48.89 71.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' LYS . 11.7 mt-10 -54.08 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -34.19 -51.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -65.63 -40.1 92.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' GLU . 47.9 tptt -56.27 -46.51 79.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.21 -31.52 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.496 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 30.7 mt -86.53 55.57 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.89 -78.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.65 54.27 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -92.51 124.92 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -52.32 150.99 7.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.741 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.538 ' HA ' HG12 ' A' ' 41' ' ' VAL . 52.9 Cg_endo -69.78 -51.25 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.715 2.276 . . . . 0.0 112.299 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 p -56.81 -40.95 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -65.89 -19.61 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.603 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -95.17 -19.67 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.523 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.1 mtm -87.68 -38.41 15.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -54.4 -48.68 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' O ' HG12 ' A' ' 83' ' ' VAL . 43.7 mt-10 -76.03 -43.2 45.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 1.3 t80 -52.03 -31.07 28.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.803 ' O ' HG22 ' A' ' 84' ' ' VAL . 8.1 mt -84.92 -62.31 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.75 -55.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.973 HG11 HD21 ' A' ' 34' ' ' LEU . 2.5 p -44.07 -57.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.803 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.5 m -49.74 -25.14 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -81.13 -35.94 30.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.486 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -63.13 -26.4 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -86.49 -47.66 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.419 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 30.4 t70 -123.88 93.15 47.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.0 Cg_endo -69.74 -10.21 28.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.649 2.233 . . . . 0.0 112.374 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.94 51.05 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -117.94 122.17 42.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.14 115.98 34.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -41.29 4.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -95.83 97.69 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.9 mm -95.39 123.25 57.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.625 0.726 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -64.9 171.44 3.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? 51.15 54.95 10.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.42 -43.61 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 167.23 179.98 40.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -127.62 164.99 20.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -82.89 -62.01 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.62 171.41 14.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.9 t -90.53 101.88 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.56 -176.25 52.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 164.09 35.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.382 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.7 t -49.78 -46.1 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.0 t -168.52 114.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -172.71 165.25 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.1 p -82.45 161.57 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.26 172.28 28.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t -122.89 157.04 33.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.354 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -83.33 -22.37 32.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.638 ' O ' HD23 ' A' ' 11' ' ' LEU . . . -175.57 117.97 0.64 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.591 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -92.97 -40.97 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.924 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -58.93 -62.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.79 ' HG3' HD22 ' A' ' 11' ' ' LEU . 13.7 pt-20 -36.59 -39.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.79 HD22 ' HG3' ' A' ' 10' ' ' GLU . 2.8 mm? -69.3 -47.3 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 44.9 t80 -48.2 -36.26 13.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -69.67 -48.52 59.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -61.64 -53.67 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.88 -48.01 42.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.37 -48.15 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.63 -30.58 71.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -74.78 -30.34 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.02 -52.56 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -55.94 -25.67 44.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.05 -11.58 67.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.492 HD22 ' HB2' ' A' ' 88' ' ' ASP . 33.5 mt -111.19 17.76 20.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.2 mm -65.61 -39.78 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -68.5 -18.41 64.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.03 -16.57 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 128.88 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.1 t -80.91 146.88 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -36.16 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.2 mm-40 -75.18 -49.74 18.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' SER . 16.9 mm-40 -51.71 -48.21 63.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.7 -54.13 10.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.3 tp -59.51 -47.71 84.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.418 ' CE1' ' NH1' ' A' ' 37' ' ' ARG . 59.0 t80 -43.55 -42.79 5.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.827 HD21 HG11 ' A' ' 83' ' ' VAL . 23.5 mt -77.91 -26.04 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 5.8 t80 -65.42 -52.75 51.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -53.4 -65.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.806 ' O ' HG13 ' A' ' 41' ' ' VAL . 37.8 mtt85 -54.35 -40.7 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 3.1 t80 -63.37 -35.22 79.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 14.9 mmmt -77.31 -19.97 55.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -84.11 -30.3 26.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 37' ' ' ARG . 2.8 m -80.89 -26.33 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -92.13 -47.32 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.8 t -96.46 -66.58 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.62 -151.17 16.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 69' ' ' GLY . 2.1 m-20 -49.86 114.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.344 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ASN . 14.9 t -35.93 124.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -126.53 36.26 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.0 p -127.55 143.75 48.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.74 55.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.366 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HG3' ' HD2' ' A' ' 51' ' ' PRO . 15.0 tttp -45.2 128.52 5.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.76 172.0 13.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.314 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 t -73.79 135.95 43.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -47.16 -38.45 11.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -63.39 -48.35 78.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -64.29 82.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -49.34 64.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -47.12 -44.08 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.78 -22.84 54.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.539 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -63.63 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -45.85 -56.1 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 66.8 mttt -51.74 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.545 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 63.5 t90 -39.18 -48.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' LYS . 28.9 mt-10 -62.53 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -39.58 -52.23 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -72.73 -28.73 62.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 17.5 tptm -65.26 -48.48 73.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.79 -22.94 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.077 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.24 52.7 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.502 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -76.05 -38.42 35.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.4 32.45 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 m -92.04 -177.86 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -128.7 160.01 65.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.74 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.4 -32.44 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -75.51 -19.23 59.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.715 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -89.34 -23.82 22.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.41 ' HG2' ' CG ' ' A' ' 12' ' ' PHE . 26.3 mtt -78.57 -27.46 45.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.85 -46.14 89.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.727 ' O ' HG12 ' A' ' 83' ' ' VAL . 70.8 mm-40 -78.66 -36.77 43.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.2 t80 -62.38 -26.86 68.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.756 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -90.73 -66.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.073 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.79 -56.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.827 HG11 HD21 ' A' ' 34' ' ' LEU . 2.5 p -43.99 -57.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -50.41 -24.45 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' CD ' ' HA ' ' A' ' 82' ' ' ALA . 20.4 mtpp -76.08 -34.5 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -69.57 -32.15 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.89 -38.38 57.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.492 ' HB2' HD22 ' A' ' 22' ' ' LEU . 16.0 t70 -134.32 93.47 19.19 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.708 . . . . 0.0 110.835 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.0 Cg_endo -69.77 0.86 5.04 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.27 41.86 2.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -115.7 135.66 53.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.744 0.306 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -140.59 119.92 8.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -20.45 34.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.305 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -99.35 81.74 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.6 mm -109.67 129.48 23.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -41.0 4.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.26 . . . . 0.0 112.337 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -47.67 162.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -92.97 116.48 29.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -142.54 157.46 44.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 114.61 153.11 10.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -66.65 -30.3 70.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -129.79 143.24 50.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.94 -62.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.1 p -134.9 163.91 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -79.88 133.26 12.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 107' ' ' SER . 53.7 Cg_endo -69.73 -21.97 32.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 106' ' ' PRO . 1.3 t -34.75 -53.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.3 t -66.24 146.83 54.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -48.43 -55.92 9.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 5.5 pt-20 -35.05 -45.46 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 4.6 mm? -66.41 -51.19 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.549 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 53.5 t80 -47.15 -31.08 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.56 -49.67 38.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -62.59 -58.9 5.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.59 -50.53 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.68 -47.32 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -31.1 72.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.819 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.4 t60 -72.97 -32.83 65.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -44.74 -53.8 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -55.32 -26.89 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.09 -13.66 58.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.819 HD11 ' CD2' ' A' ' 18' ' ' HIS . 56.9 mt -110.02 19.18 19.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -66.9 -38.91 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.19 -26.39 65.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.89 -11.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.49 128.41 43.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' HD23 ' A' ' 31' ' ' LEU . 42.8 m -79.32 158.27 27.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.1 mmt-85 -39.68 -53.16 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -59.9 -41.71 92.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.669 HE21 HD21 ' A' ' 87' ' ' LEU . 15.5 mm100 -58.01 -38.65 76.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -60.06 -42.43 94.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.646 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.8 tp -71.87 -51.0 24.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 48.1 t80 -38.63 -40.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.896 HD21 HG11 ' A' ' 83' ' ' VAL . 22.6 mt -78.83 -34.37 45.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LEU . 9.7 t80 -61.41 -60.34 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB2' ' CB ' ' A' ' 64' ' ' ALA . . . -43.2 -63.83 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.73 ' O ' HG13 ' A' ' 41' ' ' VAL . 21.8 mtt85 -55.88 -43.54 77.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 4.2 t80 -58.88 -26.72 64.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HE3' ' CH2' ' A' ' 65' ' ' TRP . 26.8 mmmt -85.59 -27.23 25.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.955 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -78.22 -23.56 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 37' ' ' ARG . 3.2 m -88.53 -30.97 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -86.44 -50.09 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 t -96.23 -65.19 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.67 -122.41 5.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 46' ' ' CYS . 7.9 m120 -61.64 128.23 35.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ASN . 2.4 t -36.82 -50.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.1 p30 35.19 35.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' CYS . 8.0 p -135.07 147.78 64.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.81 49.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 49.9 tttt -62.12 139.2 96.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.73 167.83 23.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -66.23 152.5 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.25 -49.38 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.432 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.9 m-85 -58.37 -41.51 84.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -68.82 78.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -65.32 -61.27 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' PHE . 20.7 mt-10 -35.26 -54.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.32 -28.93 67.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' PHE . 27.0 ttpp -56.82 -60.98 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.727 0.299 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -46.36 -49.31 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.646 ' HG2' HD11 ' A' ' 32' ' ' LEU . 22.6 mtpt -50.11 -63.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.528 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.1 t90 -50.66 -42.02 56.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -58.53 -65.61 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' A' ' 36' ' ' ALA . . . -47.44 -45.91 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.518 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 15.2 t90 -75.52 -23.17 56.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 23.6 tptt -74.64 -41.57 60.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.86 -26.52 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' GLY . 19.0 mt -83.82 54.98 3.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . -36.94 -79.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -124.16 50.93 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -79.84 149.09 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -73.96 157.2 87.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.669 0.747 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -57.61 -44.8 85.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.83 -24.99 64.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.701 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -86.27 -26.1 25.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.549 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 12.5 mtt -79.85 -31.4 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -58.88 -51.97 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.612 ' O ' HG12 ' A' ' 83' ' ' VAL . 31.1 mt-10 -72.98 -32.26 65.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.8 t80 -64.89 -25.34 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.1 mt -90.56 -65.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.524 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.66 -58.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.896 HG11 HD21 ' A' ' 34' ' ' LEU . 2.0 p -40.41 -59.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.677 ' H ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -49.43 -29.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' ALA . 29.7 mtpt -69.91 -34.65 73.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.52 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -70.75 -34.42 71.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.669 HD21 HE21 ' A' ' 30' ' ' GLN . 7.7 mt -74.48 -38.83 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.404 ' HB2' HD22 ' A' ' 22' ' ' LEU . 22.9 t70 -133.58 94.24 19.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.615 0.722 . . . . 0.0 110.821 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.1 Cg_endo -69.82 -13.01 33.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.637 2.225 . . . . 0.0 112.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.07 36.62 3.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 23.4 t90 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 78' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -71.88 -57.73 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' ALA . 51.7 mm-40 -35.32 -47.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.408 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.8 mm? -65.08 -50.87 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 63.2 t80 -44.08 -24.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -83.76 -49.7 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -63.76 -50.01 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.41 -46.12 47.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.79 54.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.76 -25.48 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -80.17 -27.83 38.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 ' OH ' ' A' ' 80' ' ' TYR . 1.9 tt -49.57 -46.64 49.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -60.63 -22.79 64.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.11 -11.13 60.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HB2' ' A' ' 88' ' ' ASP . 27.4 mt -112.02 17.64 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.4 mm -67.24 -36.19 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.1 -23.77 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -101.73 -14.3 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -90.7 138.59 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.1 p -89.63 149.59 22.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 5.7 ptp180 -39.53 -32.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 50.8 mt-10 -73.82 -51.04 17.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.778 HE22 HD21 ' A' ' 87' ' ' LEU . 9.6 mt-30 -53.23 -44.77 68.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.447 HD13 HD21 ' A' ' 19' ' ' LEU . 4.5 mm? -50.4 -39.45 47.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.628 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.7 tp -75.57 -48.11 23.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 62.6 t80 -42.82 -35.7 1.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.931 HD21 HG11 ' A' ' 83' ' ' VAL . 20.0 mt -83.15 -31.48 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.529 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 5.4 t80 -62.41 -56.65 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.559 ' HB2' ' CB ' ' A' ' 64' ' ' ALA . . . -49.37 -62.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.626 ' O ' HG13 ' A' ' 41' ' ' VAL . 40.4 mtt85 -53.5 -47.46 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 2.8 t80 -60.99 -30.99 70.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 20.9 mmmt -78.51 -24.09 45.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -78.96 -44.99 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.671 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -66.86 -24.61 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -90.28 -52.93 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.66 -63.9 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.32 -142.78 17.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -46.18 106.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.3 t -38.12 129.03 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -127.96 -32.89 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.0 p -51.4 151.43 5.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.52 48.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.695 2.264 . . . . 0.0 112.372 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -58.54 129.0 84.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.567 0.698 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 131.55 21.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.289 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.23 152.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -54.21 -45.25 72.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.486 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 4.7 m-85 -49.96 -47.37 52.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -73.82 77.66 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -66.54 -58.51 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -38.57 -56.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.6 -20.69 77.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' PHE . 26.8 ttpp -64.68 -55.16 21.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -52.84 -44.0 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.628 ' HG2' HD11 ' A' ' 32' ' ' LEU . 26.7 mtpt -61.99 -46.86 87.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 82.3 t90 -62.77 -43.9 97.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -59.0 -65.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.559 ' CB ' ' HB2' ' A' ' 36' ' ' ALA . . . -39.11 -53.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -67.26 -37.22 83.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.504 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 18.1 tptm -57.17 -51.1 70.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.09 -36.13 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.7 mt -76.73 50.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.59 -74.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -113.1 49.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.6 m -90.28 136.69 32.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -63.54 150.72 89.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.414 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.83 -50.38 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 t -55.22 -46.0 75.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -57.97 -27.46 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.671 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -82.74 -25.86 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.541 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 8.2 mtt -78.71 -32.73 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.414 ' HG2' HD21 ' A' ' 8' ' ' LEU . 32.9 mt-30 -59.46 -54.22 49.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.835 ' O ' HG12 ' A' ' 83' ' ' VAL . 55.0 mm-40 -66.64 -43.75 83.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.6 t80 -53.26 -36.63 61.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.817 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -82.21 -65.69 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.516 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.63 -56.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.931 HG11 HD21 ' A' ' 34' ' ' LEU . 2.2 p -45.27 -56.21 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -50.65 -23.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -78.6 -38.6 39.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.503 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -64.23 -29.88 70.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.778 HD21 HE22 ' A' ' 30' ' ' GLN . 5.4 mt -79.79 -40.72 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.55 ' HB2' HD22 ' A' ' 22' ' ' LEU . 21.2 t0 -134.57 94.28 17.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.703 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.3 Cg_endo -69.75 -7.21 20.48 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.69 45.31 2.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 23.0 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.513 HD12 ' CB ' ' A' ' 77' ' ' MET . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.346 . . . . 0.0 110.943 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -46.58 -63.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ALA . 28.2 mm-40 -35.23 -52.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.426 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.1 mm? -61.04 -46.07 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 80.7 t80 -48.74 -37.5 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.11 -57.24 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -54.62 -57.35 11.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.63 -54.07 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.36 -46.98 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.68 -28.64 69.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.449 ' NE2' HD21 ' A' ' 22' ' ' LEU . 4.9 t60 -77.62 -29.82 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.451 ' HG ' ' CD1' ' A' ' 34' ' ' LEU . 2.3 tt -45.7 -47.87 15.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -56.87 -30.03 63.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.33 -13.64 67.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.449 HD21 ' NE2' ' A' ' 18' ' ' HIS . 27.2 mt -107.04 17.71 22.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.14 -30.41 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -81.14 -18.8 45.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 29.7 m -104.46 -15.18 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.95 123.27 34.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -72.6 155.36 40.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -41.89 -31.47 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.43 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 35.8 mt-10 -75.9 -46.06 32.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.475 HE22 HG23 ' A' ' 83' ' ' VAL . 14.3 mm-40 -54.18 -45.89 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.1 -44.13 51.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.9 tp -73.05 -44.47 60.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.642 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 32.1 t80 -47.41 -52.56 16.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.651 HD21 HG11 ' A' ' 83' ' ' VAL . 38.3 mt -62.49 -24.13 67.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.53 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.9 t80 -79.67 -45.84 18.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.8 -63.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.794 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 23.3 mtm-85 -64.56 -47.24 79.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -47.98 -40.67 23.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 13.6 mmmt -76.01 -28.44 57.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.443 ' CD ' ' O ' ' A' ' 68' ' ' LEU . 50.0 tp60 -73.4 -34.4 65.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.729 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 10.1 m -78.04 -24.74 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -87.55 -49.94 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 t -95.18 -65.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.31 -141.53 13.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -48.15 123.27 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.7 t -58.17 115.55 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -114.82 -34.82 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.8 p -44.41 148.3 0.89 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 143.39 50.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 76.9 tttt -56.86 136.42 79.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.54 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.74 173.09 11.46 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 t -79.43 141.63 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.34 -48.33 55.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.53 -35.34 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -75.39 78.31 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -63.91 -56.52 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' PHE . 39.9 mt-10 -35.14 -57.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.58 -42.94 53.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 19.4 ttpt -40.84 -56.62 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 3.4 pt20 -55.26 -43.85 75.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.725 ' HG2' HD11 ' A' ' 32' ' ' LEU . 21.5 mtpt -58.54 -60.18 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.54 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.8 t90 -55.77 -38.61 70.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ALA . 11.4 mt-10 -62.72 -71.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.87 -56.38 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -63.14 -44.65 94.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 62' ' ' TRP . 8.7 tptp -49.46 -47.07 48.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.29 -26.38 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 40' ' ' GLN . 18.6 mt -89.77 50.84 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.56 -47.38 27.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -108.16 35.29 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.0 m -99.88 144.41 28.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 m -83.03 161.42 57.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.702 0.763 . . . . 0.0 110.788 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.481 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.8 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 p -60.98 -44.22 97.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.78 -15.73 43.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.794 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -93.23 -27.88 16.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.535 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.4 mtt -76.28 -32.22 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.439 ' HG2' HD21 ' A' ' 8' ' ' LEU . 32.2 mt-30 -57.91 -46.34 85.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.696 ' O ' HG12 ' A' ' 83' ' ' VAL . 41.8 mt-10 -76.29 -38.0 56.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 9.2 t80 -59.91 -24.86 64.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.851 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -91.63 -65.39 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.537 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -33.01 -55.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 79' ' ' GLU . 2.2 p -44.6 -58.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.8 m -49.39 -22.05 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -79.65 -36.86 37.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.404 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.98 -28.23 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.446 HD21 HE21 ' A' ' 30' ' ' GLN . 3.1 mt -83.17 -37.07 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 30.2 t70 -134.62 93.48 18.3 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.592 0.71 . . . . 0.0 110.873 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.2 Cg_endo -69.73 -8.58 23.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.0 -10.34 69.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 30.5 t90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.857 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.68 -52.13 24.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -42.74 -44.05 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.4 mm? -69.76 -51.69 31.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.522 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.9 t80 -42.97 -35.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.51 -54.24 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -59.11 -57.13 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.85 -47.75 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.98 -44.77 51.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.12 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.639 ' CD2' HD11 ' A' ' 22' ' ' LEU . 3.5 t60 -75.67 -35.27 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.06 -46.27 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -60.73 -32.45 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -84.81 -8.08 83.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.639 HD11 ' CD2' ' A' ' 18' ' ' HIS . 31.8 mt -112.81 12.38 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.83 -29.81 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -77.42 -18.23 57.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 35.9 m -107.4 -12.01 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.31 136.5 33.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 t -86.07 151.78 23.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -44.47 -30.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -79.69 -38.55 33.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.629 ' NE2' HD21 ' A' ' 87' ' ' LEU . 59.5 mt-30 -63.89 -42.72 97.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.19 -39.57 66.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD11 ' HG2' ' A' ' 61' ' ' LYS . 3.1 tp -72.94 -44.23 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 56.7 t80 -47.54 -38.9 15.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 83' ' ' VAL . 13.3 mt -80.86 -20.93 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.569 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -72.63 -44.8 61.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.538 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -60.2 -63.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.583 ' NH1' ' CZ ' ' A' ' 33' ' ' TYR . 51.0 mtt85 -54.88 -47.06 74.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 9.8 t80 -58.05 -40.75 81.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.53 -18.88 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -82.32 -47.69 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.708 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -65.84 -27.2 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -86.83 -51.03 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.76 -64.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.0 -131.59 9.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.25 121.87 12.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.7 t -45.23 117.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.18 -29.4 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.7 p -60.5 146.97 84.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.601 0.715 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.92 55.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -55.51 129.36 69.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.51 0.672 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.2 Cg_endo -69.75 167.91 23.05 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -70.51 155.69 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -64.83 -43.57 92.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.576 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.8 m-85 -68.11 -26.02 65.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -80.07 58.46 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -52.53 -55.52 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -40.59 -46.82 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.74 -14.64 60.91 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 22.3 ttpp -70.98 -64.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -43.52 -52.06 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.2 mtpt -50.75 -54.92 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.528 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.3 t90 -57.96 -39.21 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LYS . 19.4 mt-10 -62.26 -68.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -36.83 -51.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.66 -33.39 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.5 tptt -62.44 -45.93 90.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.44 -22.6 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.6 mt -89.32 52.41 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.92 -73.32 0.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -109.38 51.12 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 m -89.82 131.5 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -67.41 155.52 90.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.676 0.751 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.48 ' HA ' HG12 ' A' ' 41' ' ' VAL . 54.0 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.355 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 p -56.21 -46.08 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -61.27 -20.26 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.708 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -91.52 -21.48 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.522 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 12.6 mtm -87.08 -28.3 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.37 -49.9 73.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.691 ' O ' HG12 ' A' ' 83' ' ' VAL . 6.8 mm-40 -76.39 -31.88 58.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 11.2 t80 -63.03 -30.86 71.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.745 ' O ' HG22 ' A' ' 84' ' ' VAL . 7.8 mt -85.33 -64.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.609 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.64 -57.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.737 HG11 HD21 ' A' ' 34' ' ' LEU . 2.0 p -43.34 -59.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -49.94 -24.0 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -76.42 -44.13 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.609 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -59.0 -30.45 68.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.629 HD21 ' NE2' ' A' ' 30' ' ' GLN . 5.1 mt -77.68 -43.09 32.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.467 ' HB2' HD22 ' A' ' 22' ' ' LEU . 25.8 t0 -131.74 94.76 24.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.7 Cg_endo -69.77 -19.06 36.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.77 31.05 4.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 16.9 t90 . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 -179.933 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.8 0.334 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -51.1 -53.82 30.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.707 ' HG3' HD22 ' A' ' 11' ' ' LEU . 6.5 pt-20 -36.31 -39.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.707 HD22 ' HG3' ' A' ' 10' ' ' GLU . 2.0 mm? -75.05 -44.39 48.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.464 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 74.7 t80 -50.68 -29.81 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -75.68 -50.09 16.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HE3' HD13 ' A' ' 11' ' ' LEU . 30.0 mtmt -61.79 -57.57 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.12 -51.69 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.23 -45.63 11.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.64 75.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.463 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.9 t60 -71.4 -33.62 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.522 HD11 HD12 ' A' ' 34' ' ' LEU . 1.7 tt -43.53 -54.11 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.29 -31.64 33.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.14 -12.87 72.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 88' ' ' ASP . 33.6 mt -109.24 16.65 22.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 31' ' ' LEU . 25.1 mm -65.87 -32.14 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -74.9 -17.79 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -107.57 -12.85 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.75 122.48 37.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ARG . 35.6 m -73.32 152.29 40.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' SER . 10.0 ptm180 -35.13 -52.0 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.2 -48.18 82.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -50.04 -45.02 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 23' ' ' ILE . 4.3 mm? -52.74 -52.85 54.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.4 tp -63.31 -42.82 99.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.488 ' HD2' HD23 ' A' ' 34' ' ' LEU . 77.2 t80 -45.78 -38.39 7.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.736 ' CD2' HG11 ' A' ' 83' ' ' VAL . 15.2 mt -83.34 -26.33 30.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.7 t80 -67.59 -49.01 65.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -52.23 -62.74 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.734 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 87.8 mtt-85 -54.27 -54.2 43.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -48.75 -37.03 17.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 19.0 mmmt -77.34 -21.3 53.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -83.36 -34.61 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.664 HG12 ' HB3' ' A' ' 76' ' ' ALA . 3.1 m -78.25 -25.23 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -90.91 -43.93 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.0 -66.52 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.4 -137.36 12.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -54.03 108.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 t -36.33 106.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.7 p30 -112.39 34.9 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.9 p -123.66 149.08 57.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.562 0.696 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.91 66.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.404 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 23.3 ttmt -58.53 137.62 85.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.527 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.0 Cg_endo -69.71 -177.49 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -85.34 161.16 19.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -68.02 -38.65 82.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -72.85 -38.16 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.11 79.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -66.57 -56.2 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -42.38 -46.08 4.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.94 -16.95 71.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' PHE . 23.9 ttpp -70.63 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.304 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.0 -45.37 61.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HG2' HD11 ' A' ' 32' ' ' LEU . 55.3 mttt -56.42 -62.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.527 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 92.4 t90 -50.77 -41.46 56.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' LYS . 15.1 mt-10 -61.45 -71.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -36.04 -51.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.3 t90 -71.35 -34.05 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' GLU . 45.6 tptt -60.17 -40.05 88.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.38 -24.43 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.5 mt -90.34 50.94 1.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.37 -49.83 11.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.49 21.93 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -80.73 178.57 8.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -122.8 157.21 60.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.481 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.82 -50.53 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -62.76 -32.64 73.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -75.81 -19.81 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.734 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -86.1 -22.39 27.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.3 mtt -80.12 -45.73 17.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -47.37 -48.07 25.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.656 ' O ' HG12 ' A' ' 83' ' ' VAL . 38.4 mm-40 -76.12 -45.91 31.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.8 t80 -52.21 -32.62 37.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.691 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.3 mt -84.38 -64.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.518 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.49 -56.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.736 HG11 ' CD2' ' A' ' 34' ' ' LEU . 2.1 p -42.97 -56.82 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.1 m -51.26 -26.88 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 82' ' ' ALA . 3.9 mtpm? -72.46 -34.43 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.4 -32.7 68.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 84' ' ' VAL . 8.5 mt -73.98 -40.28 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.553 ' HB2' HD22 ' A' ' 22' ' ' LEU . 8.5 t0 -138.52 104.96 7.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.537 0.684 . . . . 0.0 110.894 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.72 -34.5 14.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.222 . . . . 0.0 112.397 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.41 49.5 2.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.8 t90 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.945 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.801 0.334 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.46 -52.56 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.508 ' HG3' HD22 ' A' ' 11' ' ' LEU . 3.1 pt-20 -38.98 -36.48 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.508 HD22 ' HG3' ' A' ' 10' ' ' GLU . 2.7 mm? -77.39 -44.8 28.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.0 t80 -47.71 -34.37 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.25 -53.03 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -58.08 -54.03 51.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -48.5 -50.26 32.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.077 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.91 -46.15 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -24.23 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.568 ' CD2' HD11 ' A' ' 22' ' ' LEU . 3.1 t60 -81.67 -32.21 31.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.0 -46.09 16.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -59.44 -33.12 70.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.23 -13.0 72.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 18' ' ' HIS . 52.9 mt -106.09 14.68 27.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.03 -32.11 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -75.7 -20.99 58.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.78 -12.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.11 135.25 34.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLU . 78.7 p -85.53 145.71 27.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -37.5 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.459 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 22.5 mt-10 -75.5 -48.83 20.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.615 ' NE2' HD21 ' A' ' 87' ' ' LEU . 56.6 mt-30 -56.82 -34.12 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.96 -37.59 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.9 tp -77.06 -39.38 50.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -50.72 -37.3 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.856 HD21 HG11 ' A' ' 83' ' ' VAL . 26.1 mt -82.96 -22.45 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.548 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -68.42 -44.98 73.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.27 -64.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.69 ' O ' HG13 ' A' ' 41' ' ' VAL . 93.3 mtt-85 -54.81 -44.38 73.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 4.6 t80 -62.32 -30.46 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 21.2 mmmt -82.46 -15.65 51.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -89.92 -38.19 13.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.9 m -73.66 -22.66 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -94.37 -50.68 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -91.24 -69.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.22 -149.06 16.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -42.37 123.51 2.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 t -60.51 113.79 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -111.89 -36.25 5.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.2 p -46.64 148.83 1.61 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.577 0.703 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 154.63 67.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -67.55 136.6 93.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.539 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.2 Cg_endo -69.73 169.48 18.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.398 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 t -71.58 150.81 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.68 -41.6 95.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.442 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 6.5 m-85 -66.25 -37.02 84.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -74.06 76.5 1.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -63.29 -55.85 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -38.52 -57.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.43 -15.61 80.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' PHE . 25.9 ttpt -73.64 -46.17 48.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.725 0.298 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -62.34 -44.71 95.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.4 mtpt -61.58 -54.54 41.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.539 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.6 t90 -58.9 -40.3 84.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' LYS . 13.3 mt-10 -61.18 -70.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.0 -48.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.437 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.5 t90 -70.34 -34.49 72.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' GLU . 30.6 tptt -60.92 -41.97 97.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.67 -28.73 22.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.41 51.17 2.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.93 -76.39 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.82 51.79 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -87.05 173.51 9.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -111.98 155.53 43.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.485 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.84 -50.82 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -41.91 98.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -66.82 -19.89 65.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.711 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -88.76 -20.73 24.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 25.1 mtt -83.62 -36.06 24.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -55.01 -50.89 67.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.659 ' O ' HG12 ' A' ' 83' ' ' VAL . 3.9 mm-40 -72.51 -43.79 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 1.5 t80 -56.89 -26.05 58.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.785 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -88.81 -64.5 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.514 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.78 -56.26 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.856 HG11 HD21 ' A' ' 34' ' ' LEU . 1.8 p -44.27 -57.57 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -50.68 -23.78 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -76.25 -33.25 59.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.404 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.71 -32.14 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.615 HD21 ' NE2' ' A' ' 30' ' ' GLN . 8.7 mt -73.3 -41.1 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 t70 -137.28 104.98 8.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.5 Cg_endo -69.76 -28.6 25.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.55 52.65 4.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.463 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 19.0 t90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.82 0.343 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -41.17 -56.25 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 5.4 pt-20 -36.22 -52.48 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 4.5 mm? -62.49 -53.05 60.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 78.0 t80 -44.03 -34.78 1.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -70.83 -45.07 65.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -69.7 -55.1 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.82 -47.53 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.62 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.04 77.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.71 -31.69 72.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -44.84 -53.57 7.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -53.17 -27.99 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.57 -12.85 66.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' HG22 ' A' ' 25' ' ' VAL . 32.9 mt -109.79 16.6 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.74 -35.78 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -71.66 -17.14 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 22' ' ' LEU . 21.3 m -108.4 -15.17 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.18 113.82 22.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.6 m -65.33 152.98 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -40.33 -34.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -76.21 -44.55 37.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -54.84 -39.83 68.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.67 -41.97 74.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.721 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -74.87 -48.03 27.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.628 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 33.9 t80 -42.41 -54.31 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.657 ' CD2' HG11 ' A' ' 83' ' ' VAL . 44.6 mt -59.79 -33.63 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 8.3 t80 -68.62 -53.31 23.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.58 -69.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.75 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 23.7 mtm-85 -59.09 -46.13 89.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -50.7 -31.44 16.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 20.9 mmmt -84.12 -28.69 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -71.36 -34.77 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.712 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -73.74 -26.22 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -87.98 -51.25 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.0 t -97.35 -64.97 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.51 -118.29 4.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' CYS . 9.2 m120 -64.36 135.24 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' ASN . 21.1 t -35.94 105.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 45' ' ' ASN . 3.3 m120 -107.08 23.73 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.0 p -136.65 153.85 76.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 111.164 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 159.45 53.33 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 60.7 tttt -72.16 129.51 87.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.542 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.74 148.18 64.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -61.22 170.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -76.22 -36.94 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.98 -32.93 74.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -85.06 79.29 9.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -65.34 -58.51 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' PHE . 33.8 mt-10 -35.01 -59.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.23 -30.91 73.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 32.2 ttpt -51.9 -57.15 10.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.69 ' OE1' HD13 ' A' ' 32' ' ' LEU . 2.9 pt20 -54.46 -43.6 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.721 ' HG2' HD11 ' A' ' 32' ' ' LEU . 18.0 mtpt -55.89 -55.27 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.542 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 70.5 t90 -61.07 -47.21 87.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.92 -65.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.35 -52.65 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.518 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 12.7 t90 -71.93 -26.01 62.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.485 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 30.1 tptt -68.9 -41.63 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.3 -19.79 15.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.94 51.44 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.88 -40.13 52.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.75 38.03 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -93.23 -175.07 3.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.6 m -130.11 157.57 76.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.717 0.77 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -36.72 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -73.0 -20.18 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.75 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -85.61 -26.04 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.566 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 13.1 mtt -77.43 -32.38 54.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -58.81 -49.42 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.649 ' O ' HG12 ' A' ' 83' ' ' VAL . 5.0 mm-40 -72.51 -35.06 68.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 14.1 t80 -64.74 -27.76 69.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.73 ' O ' HG22 ' A' ' 84' ' ' VAL . 9.2 mt -90.0 -66.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.461 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -32.81 -55.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.675 HG13 ' H ' ' A' ' 84' ' ' VAL . 2.5 p -44.54 -58.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -49.58 -25.69 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -81.03 -31.45 34.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -68.51 -26.59 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -86.97 -46.14 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.416 ' HB2' HD22 ' A' ' 22' ' ' LEU . 9.8 t70 -121.68 91.13 48.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.815 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.77 9.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.44 45.76 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 14.7 t90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.898 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -67.09 -52.95 35.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.8 mm-40 -38.4 -50.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -61.35 -37.12 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.567 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 53.5 t80 -61.97 -30.05 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.77 -47.25 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' HE3' HD12 ' A' ' 11' ' ' LEU . 34.2 mtmt -71.51 -56.51 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -40.13 -39.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.05 -45.19 71.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.85 -25.63 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.541 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.9 t60 -78.84 -33.37 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD21 HD13 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.18 -45.65 16.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -62.03 -27.91 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.71 -14.32 63.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.541 HD11 ' CD2' ' A' ' 18' ' ' HIS . 23.4 mt -108.15 17.94 21.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.434 ' CD1' HD11 ' A' ' 31' ' ' LEU . 13.7 mm -67.65 -37.67 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -71.21 -20.34 62.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.2 m -103.5 -13.93 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.45 142.14 27.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' GLN . 73.3 m -91.37 145.08 24.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' SER . 11.2 ptp180 -35.37 -40.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mp0 -64.74 -46.77 80.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' SER . 76.1 mt-30 -60.33 -42.24 95.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.437 HD13 HD21 ' A' ' 19' ' ' LEU . 4.3 mm? -53.55 -34.72 59.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.632 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -81.29 -43.51 19.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -47.03 -34.75 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.953 HD21 HG11 ' A' ' 83' ' ' VAL . 15.1 mt -82.79 -24.29 33.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -69.14 -42.35 76.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 65' ' ' TRP . . . -62.72 -62.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.693 ' O ' HG13 ' A' ' 41' ' ' VAL . 16.5 mtp85 -50.27 -49.82 52.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 4.5 t80 -54.91 -40.28 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -76.02 -15.35 60.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -88.51 -35.24 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.907 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.0 m -76.98 -25.11 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -90.48 -52.13 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.25 -68.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.56 -132.06 9.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -56.33 118.33 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.0 t -38.49 125.37 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -130.53 33.67 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.1 p -130.51 150.29 75.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.529 0.68 . . . . 0.0 111.169 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 150.14 67.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 54.5 tttt -62.76 131.03 94.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.532 0.682 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.538 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.77 142.41 47.81 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.722 2.281 . . . . 0.0 112.344 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -50.28 149.53 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -56.18 -43.29 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.497 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 m-85 -57.07 -47.01 82.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.42 78.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -67.46 -57.14 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.1 mt-10 -37.82 -52.77 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.97 -19.7 77.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' PHE . 32.6 ttpt -69.2 -55.5 10.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.736 0.303 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -53.03 -47.39 68.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.632 ' HG2' HD11 ' A' ' 32' ' ' LEU . 21.6 mtpt -61.96 -43.86 97.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.538 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 85.9 t90 -62.31 -46.54 88.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -58.53 -62.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.06 -59.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.055 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.406 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 16.0 t90 -63.59 -40.75 97.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -53.08 -51.85 60.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.34 -28.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.2 mt -87.59 50.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.36 -54.59 28.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -103.86 38.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -82.8 -178.85 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m -124.99 152.98 71.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -66.21 -36.73 83.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -72.33 -21.9 61.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.907 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -80.54 -28.06 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 13.8 mtt -78.91 -30.3 44.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.09 -54.19 47.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 83' ' ' VAL . 38.5 mm-40 -75.53 -39.34 58.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 17.8 t80 -53.77 -37.76 63.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.744 ' O ' HG22 ' A' ' 84' ' ' VAL . 8.9 mt -82.59 -61.54 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.92 -56.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.953 HG11 HD21 ' A' ' 34' ' ' LEU . 2.5 p -44.27 -57.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -49.82 -25.23 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -81.2 -33.99 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -65.65 -26.5 67.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.418 HD21 HE22 ' A' ' 30' ' ' GLN . 0.8 OUTLIER -86.73 -42.57 13.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HB2' HD22 ' A' ' 22' ' ' LEU . 11.6 t70 -132.19 92.33 29.25 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.833 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -15.27 36.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.46 26.09 5.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.418 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 25.5 t90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.616 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -76.27 -51.67 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.584 ' HG3' HD22 ' A' ' 11' ' ' LEU . 3.8 pt-20 -35.38 -38.92 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.584 HD22 ' HG3' ' A' ' 10' ' ' GLU . 3.7 mm? -75.53 -44.09 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 88.7 t80 -46.34 -38.99 9.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.07 -56.95 6.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -51.3 -53.17 38.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.77 -51.92 35.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.91 -47.2 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.48 69.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -76.4 -31.2 57.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 34' ' ' LEU . 1.1 tt -46.41 -48.63 18.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -55.14 -29.22 57.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.7 -14.93 62.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 88' ' ' ASP . 23.6 mt -106.44 15.27 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.95 -32.55 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.41 -21.31 56.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 23.4 m -102.66 -14.42 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -87.27 128.15 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' GLN . 62.7 m -81.33 150.07 28.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -37.78 -40.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.74 -44.39 73.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' SER . 17.0 mm-40 -58.9 -42.36 89.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.447 HD22 ' HB1' ' A' ' 26' ' ' ALA . 3.8 mm? -50.83 -43.74 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.1 tp -69.45 -54.32 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.638 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 29.9 t80 -35.63 -56.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.643 ' CD2' HG11 ' A' ' 83' ' ' VAL . 26.2 mt -58.41 -37.04 74.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.2 t80 -66.42 -47.09 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -47.63 -66.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.794 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 20.3 mtm-85 -63.14 -52.0 64.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.51 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 2.9 t80 -44.92 -41.58 7.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 17.0 mmmt -76.92 -24.89 52.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 37' ' ' ARG . 33.1 tp60 -76.33 -36.74 58.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.682 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 3.1 m -77.01 -22.95 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -90.33 -43.54 10.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 t -102.1 -66.91 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.71 -122.11 4.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -61.1 133.34 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.6 t -77.05 53.68 0.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -53.9 -29.25 41.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 p -44.83 149.94 0.77 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 147.95 64.05 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 72.7 tttt -64.95 135.14 96.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.548 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.76 155.16 66.67 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.316 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -69.42 151.75 45.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -54.22 -39.47 66.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -57.21 -61.49 2.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.79 86.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -69.77 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.5 mt-10 -35.17 -45.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.5 -36.59 43.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 19.5 ttpp -47.87 -65.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.483 ' OE1' HD13 ' A' ' 32' ' ' LEU . 4.1 pt20 -50.09 -44.87 52.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -54.58 -49.97 69.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.548 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 79.9 t90 -63.21 -46.06 88.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.13 -66.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.499 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -38.4 -53.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.444 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 14.0 t90 -70.3 -32.86 70.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -60.88 -51.04 70.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.26 -35.88 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.4 mt -83.47 53.23 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.34 -64.98 2.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.63 20.19 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.5 p -71.5 -176.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -123.02 159.64 53.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.648 0.737 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.43 ' HA ' HG12 ' A' ' 41' ' ' VAL . 54.3 Cg_endo -69.71 -50.99 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.284 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 t -62.17 -48.13 81.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -58.97 -15.67 14.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.794 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -92.34 -29.26 16.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.525 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 16.2 mtt -76.69 -26.72 55.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -63.25 -45.46 91.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.703 ' O ' HG12 ' A' ' 83' ' ' VAL . 6.5 mm-40 -77.84 -36.04 50.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 24.8 t80 -60.0 -27.35 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -89.7 -65.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.531 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.67 -56.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 79' ' ' GLU . 2.3 p -43.58 -58.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -50.45 -24.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mtpm? -75.51 -39.67 58.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.531 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -64.99 -30.86 71.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.487 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 5.0 mt -80.22 -34.27 37.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' HB2' HD22 ' A' ' 22' ' ' LEU . 15.7 t0 -133.56 93.44 21.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -101.96 48.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.4 t90 . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.941 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -66.79 -56.27 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.694 ' HG3' HD22 ' A' ' 11' ' ' LEU . 9.7 pt-20 -38.07 -45.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.694 HD22 ' HG3' ' A' ' 10' ' ' GLU . 1.5 mm? -68.06 -37.87 81.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.544 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 83.1 t80 -57.67 -31.84 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.9 -50.09 16.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -57.53 -53.93 52.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.56 -47.65 49.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.59 -47.57 19.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.18 68.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.461 ' CD2' HD11 ' A' ' 22' ' ' LEU . 4.7 t60 -78.08 -31.38 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.76 -50.45 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.13 -24.42 54.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.92 -12.69 60.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 88' ' ' ASP . 23.7 mt -109.71 14.18 23.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -60.68 -33.59 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -71.34 -23.22 61.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 30.6 m -103.98 -13.42 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.93 112.01 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -68.64 155.1 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.08 -37.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.78 -50.41 36.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' NE2' HD21 ' A' ' 87' ' ' LEU . 17.6 mm-40 -50.76 -41.35 56.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.11 -46.15 72.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.613 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.7 tp -69.21 -53.39 20.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.647 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 18.8 t80 -36.91 -56.05 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.757 HD21 HG11 ' A' ' 83' ' ' VAL . 56.9 mt -61.51 -32.7 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.504 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 5.2 t80 -69.41 -43.75 72.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.23 -64.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.781 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 28.5 mtm-85 -64.33 -43.05 95.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 2.9 t80 -53.0 -36.1 60.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 22.0 mmmt -80.17 -27.15 39.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -73.64 -29.3 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.71 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -85.15 -28.5 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -86.82 -41.26 14.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.2 t -98.97 -65.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.62 -143.67 17.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ASN . 28.0 t-20 -50.05 116.85 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' ASN . 5.8 t -37.34 95.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASN . 5.3 p-10 -107.86 26.8 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 p -117.7 153.7 50.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 148.93 66.48 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 26.9 ttmt -70.93 138.81 85.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.72 162.12 43.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -66.78 171.01 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -75.76 -36.99 59.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.423 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 15.9 m-85 -70.75 -41.04 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.84 80.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -68.38 -57.33 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.8 mt-10 -36.67 -52.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.31 -26.45 65.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' PHE . 22.8 ttpp -55.23 -59.25 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.35 -49.23 61.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.613 ' HG2' HD11 ' A' ' 32' ' ' LEU . 19.8 mtpt -50.53 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 88.0 t90 -51.38 -37.9 50.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' ALA . 20.6 mt-10 -64.09 -71.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.26 -53.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -66.9 -43.97 82.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -50.34 -48.24 55.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.66 -27.44 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.72 49.73 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.83 -64.84 3.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -102.48 45.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -98.76 130.91 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -67.04 157.9 83.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.5 t -57.93 -49.22 77.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -55.38 -24.52 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -83.59 -31.09 26.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.544 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 15.0 mtt -75.22 -29.24 60.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.2 -49.61 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.771 ' O ' HG12 ' A' ' 83' ' ' VAL . 23.6 mt-10 -74.71 -33.78 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 8.1 t80 -63.02 -29.72 71.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.776 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -87.49 -66.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.579 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.81 -56.83 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.771 HG12 ' O ' ' A' ' 79' ' ' GLU . 2.0 p -43.54 -59.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -49.49 -23.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -76.85 -40.0 49.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.579 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -63.58 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 84' ' ' VAL . 6.0 mt -78.17 -40.29 38.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.572 ' HB2' HD22 ' A' ' 22' ' ' LEU . 18.9 t0 -134.54 94.55 17.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.74 -13.5 34.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.388 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.44 41.31 3.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.2 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.857 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.531 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -69.7 -52.34 26.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' ALA . 3.4 pt-20 -35.61 -41.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.2 mm? -75.57 -45.78 35.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.518 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 79.8 t80 -46.23 -28.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -76.27 -53.76 7.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -59.28 -48.68 80.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.29 -50.96 36.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.74 -39.86 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.44 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.465 ' CD2' HD11 ' A' ' 22' ' ' LEU . 8.7 t60 -76.29 -31.04 58.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.94 -48.28 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -55.23 -31.93 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.4 -11.29 72.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 88' ' ' ASP . 50.9 mt -106.3 13.86 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.751 0.31 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.603 HD12 HD11 ' A' ' 31' ' ' LEU . 40.6 mm -65.97 -35.71 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.66 -18.93 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -110.76 -10.32 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.39 122.94 37.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ARG . 26.4 m -78.01 154.22 31.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 27' ' ' SER . 10.1 ptt85 -36.84 -51.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -56.37 -45.13 80.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.499 HE21 HD21 ' A' ' 87' ' ' LEU . 14.9 mm-40 -55.49 -51.81 65.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 23' ' ' ILE . 4.1 mm? -48.32 -42.84 32.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -71.23 -52.68 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -40.15 -40.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.787 HD21 HG11 ' A' ' 83' ' ' VAL . 17.8 mt -77.15 -31.62 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.8 t80 -62.91 -58.66 6.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CD1' ' A' ' 35' ' ' TYR . . . -44.76 -68.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.763 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 15.9 mtt-85 -46.39 -50.74 16.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.41 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.8 t80 -50.22 -48.13 54.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -67.91 -16.85 64.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -84.7 -44.47 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.674 HG12 ' HB3' ' A' ' 76' ' ' ALA . 3.4 m -69.89 -26.74 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -86.22 -52.88 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 t -90.01 -66.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.39 -141.88 13.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -55.3 115.29 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.6 t -39.35 126.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -126.15 -34.45 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.3 p -48.64 149.18 3.12 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.609 0.718 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 147.54 63.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 51.5 tttt -60.45 131.38 90.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.54 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.76 156.81 62.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.645 2.23 . . . . 0.0 112.358 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -61.47 164.86 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -74.35 -44.01 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -67.7 -13.62 62.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.39 72.15 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -65.38 -54.74 24.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' PHE . 39.9 mt-10 -35.71 -44.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.79 -20.28 37.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' PHE . 26.9 ttpt -63.64 -67.9 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -39.36 -48.6 1.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 25.2 mtpt -53.88 -57.89 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.545 ' CH2' ' HD3' ' A' ' 66' ' ' LYS . 63.1 t90 -49.94 -61.34 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' LYS . 29.8 mt-10 -42.13 -65.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -41.22 -49.29 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.495 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 16.5 t90 -74.84 -21.31 59.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 14.4 tptm -74.75 -48.06 27.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.3 -27.3 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.56 50.3 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.66 -48.92 46.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -109.02 37.45 2.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.32 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 p -93.08 -178.62 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -126.68 158.83 66.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -50.61 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.73 -32.78 74.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -73.54 -21.1 60.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.763 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -84.12 -26.7 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.466 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 12.4 mtt -75.95 -34.7 59.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.01 -58.86 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.642 ' O ' HG12 ' A' ' 83' ' ' VAL . 12.7 mt-10 -67.28 -33.11 74.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 6.2 t80 -63.09 -30.59 71.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.848 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -87.28 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.499 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.7 -55.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.787 HG11 HD21 ' A' ' 34' ' ' LEU . 2.2 p -44.95 -58.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.7 m -49.56 -22.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.072 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -79.3 -41.44 28.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -61.62 -28.68 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 84' ' ' VAL . 3.3 mt -81.1 -41.53 22.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.586 ' HB2' HD22 ' A' ' 22' ' ' LEU . 31.5 t70 -131.53 93.44 28.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.7 Cg_endo -69.77 -7.07 20.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.13 35.92 4.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.4 t90 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.11 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HG3' HD22 ' A' ' 11' ' ' LEU . 3.0 pt-20 -42.28 -37.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.577 HD22 ' HG3' ' A' ' 10' ' ' GLU . 3.0 mm? -80.3 -42.04 23.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.54 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 72.0 t80 -49.59 -41.16 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.74 -55.33 20.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -55.55 -57.24 12.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.2 -49.04 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.6 -46.71 19.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.31 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.45 -32.26 68.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tt -45.79 -52.06 11.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -54.49 -29.43 50.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.54 -12.89 66.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.562 HD22 ' HB2' ' A' ' 88' ' ' ASP . 27.7 mt -107.89 16.85 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.8 mm -68.61 -33.86 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.16 -16.89 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -107.69 -19.41 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.83 149.02 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ARG . 26.6 m -103.88 154.28 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' SER . 13.9 ptp180 -34.93 -43.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.26 -63.63 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -43.72 -50.13 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -46.55 -34.08 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -84.61 -46.8 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -46.79 -37.47 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.779 HD21 HG11 ' A' ' 83' ' ' VAL . 19.7 mt -81.02 -23.62 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.55 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.2 t80 -72.89 -45.9 55.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.553 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -60.08 -64.7 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.706 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 14.6 mtp85 -49.65 -42.82 46.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 5.6 t80 -59.08 -45.02 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -71.25 -13.88 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 40.5 tp60 -87.01 -40.26 14.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 37' ' ' ARG . 2.1 m -71.08 -25.86 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -89.45 -51.82 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 t -87.42 -68.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.25 -102.35 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -81.37 111.95 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.9 t -41.48 113.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.78 37.31 4.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 p -121.76 146.72 46.48 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.56 0.695 . . . . 0.0 111.172 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.42 48.0 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -54.03 129.74 58.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.79 155.08 66.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.301 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -54.8 156.84 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -68.29 -42.69 79.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.501 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 9.9 m-85 -66.03 -33.24 75.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.1 76.41 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.501 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -66.3 -57.28 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -38.14 -46.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.66 -22.63 59.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 56' ' ' PHE . 25.1 ttpp -67.04 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -39.35 -50.65 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 84.4 mttt -57.17 -62.38 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 85.6 t90 -43.97 -44.22 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 66' ' ' LYS . 18.0 mt-10 -60.38 -68.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -34.12 -53.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -71.27 -37.4 71.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' GLU . 20.2 tptt -55.72 -39.74 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.95 73.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.474 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 10.9 mt -80.13 53.44 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.46 -26.46 47.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -123.43 25.42 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -90.8 -175.65 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -123.67 158.58 58.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.53 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -63.52 -37.37 87.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -69.57 -20.64 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.706 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -83.02 -29.59 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.558 ' HB2' HD12 ' A' ' 8' ' ' LEU . 31.1 mtt -74.57 -34.73 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.24 -56.19 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.74 ' O ' HG12 ' A' ' 83' ' ' VAL . 5.3 mm-40 -71.59 -34.98 70.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.8 t80 -60.03 -31.92 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.77 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.5 mt -85.76 -64.9 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.72 -56.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.779 HG11 HD21 ' A' ' 34' ' ' LEU . 2.1 p -44.0 -57.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -51.21 -23.81 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -76.07 -38.0 57.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.431 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.62 -31.0 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 84' ' ' VAL . 5.3 mt -75.46 -46.04 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.562 ' HB2' HD22 ' A' ' 22' ' ' LEU . 23.0 t70 -127.95 101.85 22.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.621 0.724 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.6 Cg_endo -69.82 -18.51 36.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.313 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.57 50.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 17.0 t90 . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.432 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.809 0.337 . . . . 0.0 110.921 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -48.03 -60.3 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . 29.1 mm-40 -35.2 -53.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' PHE . 1.6 mm? -63.88 -53.15 54.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.691 ' N ' HD11 ' A' ' 81' ' ' ILE . 67.4 t80 -36.42 -36.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.47 -54.77 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -48.86 -51.95 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.3 -50.37 67.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.1 -45.94 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -29.48 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.464 ' CD2' HD11 ' A' ' 22' ' ' LEU . 9.6 t60 -76.6 -29.89 56.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.5 -47.49 27.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -57.11 -27.03 61.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.44 -11.97 63.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 88' ' ' ASP . 25.6 mt -108.86 13.45 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.42 HD13 HD11 ' A' ' 31' ' ' LEU . 19.4 mm -63.19 -34.77 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -72.07 -22.22 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -103.73 -13.06 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.19 123.28 39.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 p -74.79 156.88 36.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 29' ' ' GLU . 3.0 ppt_? -43.61 -34.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 27.0 mt-10 -72.37 -44.87 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.57 -35.99 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.42 HD11 HD13 ' A' ' 23' ' ' ILE . 3.8 mm? -62.57 -34.47 77.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 64' ' ' ALA . 1.7 tp -78.33 -42.93 29.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -49.24 -38.94 28.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.053 HD21 HG11 ' A' ' 83' ' ' VAL . 22.3 mt -83.39 -20.18 34.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 2.7 t80 -76.12 -48.16 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 65' ' ' TRP . . . -57.79 -61.02 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.746 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 36.7 mtt-85 -53.45 -44.56 68.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -56.43 -33.89 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -80.91 -20.34 42.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 5.0 tp-100 -80.79 -32.2 35.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 37' ' ' ARG . 2.8 m -81.43 -22.87 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -97.18 -52.65 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 t -86.22 -68.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.91 -147.51 18.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -44.56 125.99 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.6 t -46.17 118.54 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.27 39.73 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.4 p -136.03 152.88 76.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.633 0.73 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 148.39 64.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -68.44 138.14 91.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' CG ' ' HA ' ' A' ' 59' ' ' LYS . 53.8 Cg_endo -69.7 164.96 32.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -85.04 147.19 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -46.08 -40.49 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -57.97 -55.28 36.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.7 83.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -67.92 -60.27 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' PHE . 25.5 mt-10 -36.52 -44.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.41 -30.65 48.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' PHE . 21.1 ttpp -53.79 -64.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -50.91 -46.85 60.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -53.82 -60.1 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.468 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 80.4 t90 -53.73 -45.0 70.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 66' ' ' LYS . 32.5 mt-10 -58.69 -69.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 32' ' ' LEU . . . -35.92 -52.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.461 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 15.3 t90 -72.28 -31.01 65.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 63' ' ' GLU . 42.9 tptt -62.64 -40.69 97.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.04 -30.72 60.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 55.6 mt -84.76 52.35 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.04 -75.48 0.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -112.23 51.17 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 m -90.85 135.03 34.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -63.0 154.0 78.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.427 ' O ' HG12 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.78 -50.15 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 p -58.58 -48.79 79.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -55.8 -21.5 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.746 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -87.17 -30.95 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.488 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 6.1 mtt -74.02 -32.73 63.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.21 -45.97 86.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.824 ' O ' HG12 ' A' ' 83' ' ' VAL . 59.7 mm-40 -76.99 -42.97 36.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 2.4 t80 -54.46 -32.49 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.82 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.7 mt -86.55 -65.7 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.538 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.82 -56.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.053 HG11 HD21 ' A' ' 34' ' ' LEU . 2.3 p -44.72 -58.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.5 m -48.36 -22.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -79.76 -35.78 38.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.459 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.68 -29.42 69.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -79.92 -39.67 29.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.497 ' HB2' HD22 ' A' ' 22' ' ' LEU . 26.1 t0 -134.12 92.13 22.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.919 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.67 2.82 3.14 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.78 33.73 6.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.3 t90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.896 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.475 HD21 ' HG2' ' A' ' 78' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -46.69 -53.12 12.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -35.94 -58.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -56.97 -54.43 46.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 38' ' ' TYR . 83.8 t80 -34.28 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' LEU . 10.4 mm-40 -76.72 -46.07 26.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.77 -56.54 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.561 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -42.33 -41.4 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.86 65.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -31.94 73.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.434 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.0 t60 -71.3 -33.59 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.455 HD21 HD13 ' A' ' 31' ' ' LEU . 1.5 tt -44.13 -53.34 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -55.18 -27.48 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.89 -11.52 67.72 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 88' ' ' ASP . 29.8 mt -111.32 15.84 21.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.542 ' CD1' HD11 ' A' ' 31' ' ' LEU . 20.6 mm -64.07 -33.42 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -74.0 -21.09 60.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 27.5 m -104.39 -15.09 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.03 128.6 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 28' ' ' ARG . 65.3 m -77.2 146.61 36.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' SER . 3.5 ptp180 -35.34 -41.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.46 -50.81 63.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' SER . 20.1 mt-30 -52.24 -43.43 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.542 HD11 ' CD1' ' A' ' 23' ' ' ILE . 4.3 mm? -51.21 -42.03 60.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.8 tp -74.86 -46.03 39.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -43.59 -39.91 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.915 HD21 HG11 ' A' ' 83' ' ' VAL . 19.9 mt -77.12 -28.37 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.7 t80 -67.92 -49.45 61.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.69 -66.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.566 ' O ' HG13 ' A' ' 41' ' ' VAL . 19.1 mtp85 -47.33 -51.36 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 17.9 t80 -52.76 -44.5 66.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -71.91 -13.01 61.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -89.02 -40.91 12.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.865 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.7 m -70.48 -25.78 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -89.68 -48.59 7.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.8 t -94.95 -65.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.88 -128.12 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -59.08 114.58 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.4 t -56.94 97.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -89.07 -38.71 14.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.7 p -40.19 146.17 0.43 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 154.95 67.02 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.276 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 60.0 tttt -62.55 134.3 95.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.533 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.73 171.15 14.96 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -71.47 153.09 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -63.86 -40.27 96.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.83 -42.12 81.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -67.53 80.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -65.93 -61.12 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' PHE . 24.9 mt-10 -34.93 -51.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.52 -33.68 47.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 28.7 ttpp -56.16 -64.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.714 0.293 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -47.4 -42.35 21.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -60.19 -56.37 22.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.548 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 86.6 t90 -55.55 -46.5 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' LYS . 19.2 mt-10 -55.19 -68.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -38.97 -50.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.489 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 14.9 t90 -74.8 -24.82 58.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.548 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.0 tptt -70.32 -45.23 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.1 -20.08 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.82 51.2 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.89 -50.17 49.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -109.09 40.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 m -88.69 -178.28 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -125.57 156.15 71.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.708 0.766 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.13 -40.79 90.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.39 -24.92 65.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.865 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -80.65 -25.23 38.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.504 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.7 mtm -82.26 -27.99 32.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.475 ' HG2' HD21 ' A' ' 8' ' ' LEU . 34.3 mt-30 -60.58 -52.33 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 83' ' ' VAL . 77.8 mm-40 -76.22 -33.96 59.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.4 t80 -61.59 -36.34 80.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.605 HD11 ' N ' ' A' ' 12' ' ' PHE . 5.3 mt -82.79 -62.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.48 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.51 -57.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.915 HG11 HD21 ' A' ' 34' ' ' LEU . 2.2 p -39.47 -59.74 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.7 ' H ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -48.78 -32.51 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 82' ' ' ALA . 6.3 mtmt -74.13 -34.42 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -64.2 -29.09 70.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.62 -42.14 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.516 ' HB2' HD22 ' A' ' 22' ' ' LEU . 15.4 t70 -134.51 95.21 16.32 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.809 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.0 Cg_endo -69.8 -20.28 34.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.01 40.9 3.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 6.4 t90 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.855 0.36 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -56.72 -53.87 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.444 ' HG3' HD22 ' A' ' 11' ' ' LEU . 2.1 pt-20 -35.63 -39.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.444 HD22 ' HG3' ' A' ' 10' ' ' GLU . 4.1 mm? -74.07 -46.69 41.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 81.5 t80 -45.1 -37.77 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.67 -55.94 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -56.73 -55.49 33.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.72 -51.1 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.39 -44.04 34.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.56 75.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.6 t60 -71.16 -35.41 71.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 34' ' ' LEU . 2.2 tt -41.45 -52.95 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -50.74 -34.37 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -83.75 -14.72 72.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.537 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 88' ' ' ASP . 36.2 mt -106.32 13.87 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.336 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.7 mm -64.52 -30.43 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.04 -21.0 55.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 22' ' ' LEU . 27.4 m -101.93 -16.59 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.33 131.49 37.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' GLN . 1.5 m -84.04 151.75 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.795 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.0 ptp180 -36.37 -45.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.833 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.19 -42.71 96.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.574 HE22 HD21 ' A' ' 87' ' ' LEU . 10.0 mt-30 -60.92 -36.08 78.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.18 -47.0 86.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.4 tp -63.75 -50.64 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.727 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 28.7 t80 -41.8 -45.88 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.87 HD23 ' NH2' ' A' ' 37' ' ' ARG . 30.0 mt -70.84 -27.21 63.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 5.4 t80 -72.85 -53.84 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.67 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.08 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.87 ' NH2' HD23 ' A' ' 34' ' ' LEU . 80.1 mtm180 -51.27 -50.88 58.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.414 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 10.1 t80 -47.56 -31.2 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -82.32 -30.14 30.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -75.92 -27.39 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.754 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 3.2 m -87.48 -26.31 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 43.0 mmtt -93.26 -52.32 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.1 t -82.29 -69.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.42 -118.38 2.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' ASN . 12.3 m120 -80.29 123.98 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.9 t -53.89 85.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' ASN . 10.0 p30 -99.48 30.87 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 p -111.27 148.69 39.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 111.174 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 155.16 66.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.236 . . . . 0.0 112.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -67.6 128.44 93.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.541 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.76 136.04 31.98 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -48.96 142.39 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 53' ' ' PHE . 5.4 t80 -50.16 -37.94 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 4.0 m-85 -57.52 -42.84 83.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -77.43 83.19 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -71.05 -58.47 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' PHE . 25.4 mt-10 -36.95 -42.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.66 -27.34 32.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 56' ' ' PHE . 22.5 ttpp -54.19 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 110.836 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -40.45 -55.67 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 7.0 mttp -49.27 -65.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.541 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 68.0 t90 -41.96 -47.87 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' LYS . 35.7 mt-10 -60.91 -71.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.48 -51.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.455 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.2 t90 -70.78 -33.7 71.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' GLU . 41.6 tptt -60.53 -44.61 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.25 -30.02 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.1 mt -81.31 52.91 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.12 -76.3 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -104.33 52.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.2 m -93.26 147.79 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -87.28 158.28 52.42 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.708 0.766 . . . . 0.0 110.818 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -50.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -34.87 74.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.38 -23.38 63.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.796 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -86.64 -26.82 24.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.551 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 13.6 mtt -80.18 -35.48 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.12 -53.19 54.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.508 ' C ' ' NH1' ' A' ' 37' ' ' ARG . 6.3 mm-40 -75.48 -38.94 59.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.55 ' N ' ' NH1' ' A' ' 37' ' ' ARG . 6.5 t80 -50.7 -32.71 20.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.736 ' O ' HG22 ' A' ' 84' ' ' VAL . 9.4 mt -84.78 -60.57 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.91 -57.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.758 HG11 HD21 ' A' ' 34' ' ' LEU . 2.8 p -44.04 -57.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -49.19 -25.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.185 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -80.64 -34.33 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -65.75 -25.75 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.574 HD21 HE22 ' A' ' 30' ' ' GLN . 0.5 OUTLIER -90.02 -40.77 12.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.538 ' HB2' HD22 ' A' ' 22' ' ' LEU . 15.8 t0 -132.32 92.21 29.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.635 0.731 . . . . 0.0 110.862 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -27.13 26.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.23 44.42 2.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 14.3 t90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.955 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -52.9 -61.78 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' ALA . 56.4 mm-40 -35.42 -58.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.511 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.9 mm? -52.99 -54.84 29.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.553 ' N ' HD11 ' A' ' 81' ' ' ILE . 91.3 t80 -40.19 -29.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -74.93 -49.39 20.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -54.34 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -45.19 -49.76 11.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.19 -49.59 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.7 -32.54 67.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.7 ' CD2' HD11 ' A' ' 22' ' ' LEU . 3.6 t60 -70.45 -34.5 72.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.97 -53.74 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -53.97 -30.5 47.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.49 -13.49 65.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.7 HD11 ' CD2' ' A' ' 18' ' ' HIS . 44.7 mt -107.69 17.43 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.318 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -66.67 -41.44 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -65.51 -18.75 65.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 22' ' ' LEU . 34.3 m -106.03 -20.64 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.28 125.05 32.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' GLN . 52.8 m -75.8 150.14 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 10.1 ptp180 -38.06 -41.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 10.6 mt-10 -69.53 -41.77 75.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.513 HE22 HD21 ' A' ' 87' ' ' LEU . 29.6 mt-30 -59.57 -29.49 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -41.7 81.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.26 -41.08 77.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -50.21 -42.74 52.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.046 HD21 HG11 ' A' ' 83' ' ' VAL . 25.9 mt -80.63 -15.78 55.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -76.98 -41.28 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.472 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -66.41 -62.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.624 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 21.0 mtp85 -51.42 -46.92 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 4.0 t80 -59.67 -38.96 82.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -73.82 -12.83 60.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -90.97 -46.9 7.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.64 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 4.4 m -64.71 -21.53 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -94.77 -51.84 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -91.03 -60.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.27 -138.91 12.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 69' ' ' GLY . 1.2 m120 -63.39 115.94 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ASN . 7.7 t -35.92 119.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.7 38.4 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.1 p -130.57 144.42 53.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.85 63.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -53.46 127.8 50.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.536 0.684 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.546 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.7 159.06 54.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.268 . . . . 0.0 112.376 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -52.4 156.26 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 16.2 t80 -70.13 -19.1 63.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -79.39 -57.56 3.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -58.46 86.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -67.93 -56.11 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' PHE . 26.0 mt-10 -37.61 -47.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.95 -31.67 47.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' PHE . 18.3 ttpp -58.06 -66.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -44.81 -47.53 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 87.6 mttt -59.74 -56.87 16.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.546 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 53.1 t90 -45.24 -51.44 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LYS . 38.9 mt-10 -59.13 -66.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -36.73 -53.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.7 t90 -71.52 -31.28 66.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' GLU . 48.6 tptt -62.43 -48.18 80.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.27 -32.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.4 mt -83.81 50.07 1.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.495 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -52.01 -73.83 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.469 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.63 51.35 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -99.13 149.52 22.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -80.43 157.79 72.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.512 ' O ' HG12 ' A' ' 41' ' ' VAL . 53.1 Cg_endo -69.83 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 p -58.17 -45.03 88.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -59.06 -22.76 61.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -87.23 -27.78 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.85 -25.64 40.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.06 -46.4 89.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.682 ' O ' HG12 ' A' ' 83' ' ' VAL . 9.1 mm-40 -78.99 -41.94 27.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 2.6 t80 -52.47 -33.71 45.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.787 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -84.92 -63.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.461 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.69 -56.88 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.046 HG11 HD21 ' A' ' 34' ' ' LEU . 2.3 p -44.33 -57.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.787 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -49.67 -23.79 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -77.99 -36.35 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -67.61 -28.61 67.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.513 HD21 HE22 ' A' ' 30' ' ' GLN . 3.3 mt -81.82 -43.04 18.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 16.9 t70 -131.55 96.97 19.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.3 Cg_endo -69.65 -19.44 36.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.716 2.277 . . . . 0.0 112.41 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.92 42.49 3.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.417 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 29.0 t90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.72 -43.24 72.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.461 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 4.6 pt-20 -46.57 -42.81 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 4.3 mm? -68.5 -48.56 64.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 92.5 t80 -43.75 -39.91 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.06 -56.31 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -54.07 -56.62 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.6 -45.89 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.55 -46.58 57.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.3 72.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -73.89 -31.58 63.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -45.42 -51.51 11.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -55.04 -27.71 46.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.33 -14.95 63.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CA ' HG22 ' A' ' 25' ' ' VAL . 19.1 mt -107.46 19.62 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -68.27 -35.48 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.77 -19.17 59.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.435 HG22 ' CA ' ' A' ' 22' ' ' LEU . 32.6 m -103.46 -18.14 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.74 126.17 34.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' GLN . 3.4 t -74.6 148.7 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -38.03 -35.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -73.68 -43.37 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.606 ' NE2' HD21 ' A' ' 87' ' ' LEU . 67.2 mt-30 -59.7 -33.15 71.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.52 -37.08 82.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.696 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.3 tp -76.67 -51.92 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.645 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 44.1 t80 -37.46 -52.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.66 ' CD2' HG11 ' A' ' 83' ' ' VAL . 54.6 mt -58.67 -36.55 74.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 7.5 t80 -65.95 -53.24 41.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -40.62 -71.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.753 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 19.5 mtm-85 -58.85 -48.34 81.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.7 t80 -47.28 -33.06 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 15.1 mmmt -82.9 -31.03 28.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -70.62 -30.7 67.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.813 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.9 m -77.26 -22.83 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -93.16 -50.63 5.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -91.18 -70.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.52 -125.56 5.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -61.96 112.98 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 t -47.11 95.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -104.57 37.24 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 p -121.8 150.88 56.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 151.77 69.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.226 . . . . 0.0 112.371 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 54.4 tttt -64.76 135.05 96.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.543 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.8 150.53 68.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 t -65.15 156.05 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.99 -48.07 79.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.477 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 6.0 m-85 -50.71 -49.5 57.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.14 75.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -64.14 -54.27 36.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -42.55 -56.7 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.42 -27.62 73.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 22.5 ttpt -56.13 -58.6 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.72 0.295 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -54.02 -47.41 71.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.696 ' HG2' HD11 ' A' ' 32' ' ' LEU . 27.7 mtpt -54.29 -60.43 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.543 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.7 t90 -50.19 -42.04 50.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -60.53 -66.92 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -41.38 -53.27 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -68.21 -34.19 75.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -60.86 -39.1 87.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.08 65.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -87.88 54.72 3.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.62 -38.35 28.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.446 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -113.71 34.74 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -95.06 -179.65 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -125.67 161.18 52.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -70.93 -21.81 62.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.813 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -82.15 -28.62 32.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 26.8 mtt -75.43 -36.71 60.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -53.25 -44.19 67.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.637 ' O ' HG12 ' A' ' 83' ' ' VAL . 41.0 mt-10 -81.04 -36.54 30.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 29.2 t80 -61.07 -29.07 69.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.613 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.0 mt -88.05 -65.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.172 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.634 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.62 -57.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.695 HG13 ' H ' ' A' ' 84' ' ' VAL . 1.8 p -38.53 -60.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.695 ' H ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -49.34 -31.76 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' ALA . 44.5 mtpt -67.41 -33.47 75.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.634 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.25 -37.25 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.606 HD21 ' NE2' ' A' ' 30' ' ' GLN . 12.0 mt -68.03 -51.27 48.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.415 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 26.3 t70 -117.7 95.63 48.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.9 Cg_endo -69.78 1.75 4.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.42 21.98 25.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . 0.461 ' CZ3' ' CG2' ' A' ' 84' ' ' VAL . 24.2 t90 . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 77' ' ' MET . 1.1 tm? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -52.82 -55.89 19.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.075 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' HG3' HD22 ' A' ' 11' ' ' LEU . 7.0 pt-20 -35.44 -51.02 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD22 ' HG3' ' A' ' 10' ' ' GLU . 4.0 mm? -63.06 -55.52 24.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.534 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.2 t80 -43.95 -37.97 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.57 -53.97 39.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -60.62 -56.05 25.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.45 -51.39 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.59 -45.54 18.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.02 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.755 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.4 t60 -80.34 -33.38 37.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.453 ' HG ' ' CD1' ' A' ' 34' ' ' LEU . 1.2 tt -44.64 -45.96 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -62.53 -29.97 70.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -88.27 -9.04 70.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.755 HD11 ' CD2' ' A' ' 18' ' ' HIS . 47.4 mt -111.97 13.91 20.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 31' ' ' LEU . 32.1 mm -63.76 -35.32 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -70.55 -20.8 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 m -104.66 -18.53 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.25 126.12 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ARG . 71.2 m -80.25 156.41 26.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' SER . 25.1 mmt180 -34.07 -52.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -54.7 -60.4 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -39.02 -55.92 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.406 HD11 HD12 ' A' ' 23' ' ' ILE . 3.5 mm? -43.7 -39.39 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.7 tp -82.21 -52.04 7.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -40.43 -38.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.865 HD21 HG11 ' A' ' 83' ' ' VAL . 37.9 mt -75.65 -34.05 60.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.587 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -63.33 -44.25 95.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -55.89 -63.46 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.08 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.647 ' O ' HG13 ' A' ' 41' ' ' VAL . 65.3 mtt-85 -59.63 -50.47 73.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.551 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.9 t80 -51.45 -44.36 62.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 22.8 mmmt -73.08 -19.72 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 40.2 tp60 -81.41 -33.75 32.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.848 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.2 m -76.76 -26.12 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -87.68 -49.94 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.0 t -89.65 -65.82 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.7 -116.67 3.63 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' CYS . 9.4 m120 -73.09 104.63 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.856 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' ASN . 45.1 t -38.18 112.28 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -123.91 36.46 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 p -116.95 150.81 46.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 143.56 50.95 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.688 2.259 . . . . 0.0 112.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -55.87 135.96 72.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.534 0.683 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.84 175.57 8.0 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -75.79 164.03 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.86 -30.85 40.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -81.08 -15.7 55.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.29 82.24 3.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -66.92 -56.88 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' PHE . 18.1 mt-10 -37.03 -45.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.39 -22.93 49.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' PHE . 28.9 ttpt -66.71 -60.26 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -49.75 -53.44 24.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.587 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 25.9 mtpt -51.97 -56.38 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.552 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 90.3 t90 -53.17 -43.06 66.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' LYS . 26.0 mt-10 -58.83 -70.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -34.16 -54.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -68.77 -35.23 76.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.6 tptt -57.93 -44.21 86.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.85 -21.86 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.458 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 22.6 mt -91.69 50.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.34 -38.58 53.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -112.35 31.15 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 m -86.41 -179.54 6.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -125.45 155.92 71.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.83 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -34.42 77.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -76.73 -16.33 59.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.848 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -89.57 -22.81 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.543 ' HB2' HD11 ' A' ' 8' ' ' LEU . 16.8 mtt -78.47 -42.4 29.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -49.59 -54.3 19.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HB2' ' CD ' ' A' ' 37' ' ' ARG . 78.5 mm-40 -67.42 -43.08 82.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 6.7 t80 -55.21 -34.28 63.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.688 ' O ' HG22 ' A' ' 84' ' ' VAL . 10.2 mt -82.83 -62.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -32.72 -54.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.865 HG11 HD21 ' A' ' 34' ' ' LEU . 2.8 p -46.68 -56.67 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.1 m -49.93 -26.7 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -79.8 -33.11 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.477 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -66.66 -26.31 66.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -88.18 -44.63 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.655 ' HB2' HD22 ' A' ' 22' ' ' LEU . 11.3 t0 -128.17 88.58 52.44 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.75 14.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.72 33.8 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.527 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 8.2 t90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 8' ' ' LEU . 1.2 tm? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -36.35 -58.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.595 ' HG3' HD22 ' A' ' 11' ' ' LEU . 9.9 pt-20 -35.71 -47.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.595 HD22 ' HG3' ' A' ' 10' ' ' GLU . 3.4 mm? -65.97 -52.53 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.647 ' CZ ' ' CD2' ' A' ' 38' ' ' TYR . 72.7 t80 -39.51 -37.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -71.89 -56.79 5.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -53.05 -54.4 35.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.67 -46.99 20.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.49 -48.09 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.58 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.443 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.7 t60 -74.7 -30.41 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -46.49 -52.26 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -57.89 -23.56 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.49 -10.81 63.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.443 HD11 ' CD2' ' A' ' 18' ' ' HIS . 37.6 mt -112.43 19.02 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.58 -33.72 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -73.02 -17.44 61.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.9 m -109.76 -15.27 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -88.26 132.09 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.403 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -82.98 151.14 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 10.6 ptt180 -40.07 -35.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 2.2 mm-40 -75.72 -45.5 36.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -56.75 -36.27 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.432 HD22 ' HB1' ' A' ' 26' ' ' ALA . 4.2 mm? -60.7 -42.43 97.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.0 tp -73.04 -43.8 61.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -45.63 -37.96 6.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.973 HD21 HG11 ' A' ' 83' ' ' VAL . 24.1 mt -80.83 -28.38 36.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.59 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.8 t80 -66.97 -51.27 57.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.421 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -53.52 -64.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.075 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.603 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 37.3 mtt-85 -53.44 -49.17 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.647 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 8.6 t80 -58.84 -33.41 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 17.8 mmmt -79.45 -13.3 59.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 3.3 tp-100 -94.77 -23.48 17.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 37' ' ' ARG . 4.9 m -88.65 -28.03 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 3.7 mmpt? -86.68 -53.37 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.7 t -87.83 -66.6 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.2 -143.5 15.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.51 112.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 t -46.35 125.58 6.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -127.04 -37.7 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.1 p -40.83 154.55 0.21 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 147.0 61.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -66.7 134.83 94.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.3 Cg_endo -69.76 152.7 69.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -70.65 158.7 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -57.51 -45.88 84.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 m-85 -54.63 -46.66 73.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.76 75.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -63.64 -59.14 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -37.52 -57.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.28 -28.52 73.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 26.6 ttpp -56.18 -56.23 23.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.412 ' OE1' HD13 ' A' ' 32' ' ' LEU . 4.6 pt20 -56.63 -45.67 81.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.59 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 28.4 mtpt -56.64 -60.41 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.48 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.3 t90 -54.51 -48.89 71.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' LYS . 11.7 mt-10 -54.08 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -34.19 -51.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -65.63 -40.1 92.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' GLU . 47.9 tptt -56.27 -46.51 79.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.21 -31.52 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.496 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 30.7 mt -86.53 55.57 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.89 -78.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.65 54.27 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -92.51 124.92 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -52.32 150.99 7.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.741 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.538 ' HA ' HG12 ' A' ' 41' ' ' VAL . 52.9 Cg_endo -69.78 -51.25 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.715 2.276 . . . . 0.0 112.299 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 p -56.81 -40.95 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -65.89 -19.61 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.603 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -95.17 -19.67 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.523 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.1 mtm -87.68 -38.41 15.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -54.4 -48.68 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' O ' HG12 ' A' ' 83' ' ' VAL . 43.7 mt-10 -76.03 -43.2 45.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 1.3 t80 -52.03 -31.07 28.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.803 ' O ' HG22 ' A' ' 84' ' ' VAL . 8.1 mt -84.92 -62.31 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.75 -55.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.973 HG11 HD21 ' A' ' 34' ' ' LEU . 2.5 p -44.07 -57.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.803 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.5 m -49.74 -25.14 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -81.13 -35.94 30.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.486 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -63.13 -26.4 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -86.49 -47.66 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.419 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 30.4 t70 -123.88 93.15 47.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.0 Cg_endo -69.74 -10.21 28.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.649 2.233 . . . . 0.0 112.374 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.94 51.05 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.6 t90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.591 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.85 0.357 . . . . 0.0 110.924 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -58.93 -62.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.79 ' HG3' HD22 ' A' ' 11' ' ' LEU . 13.7 pt-20 -36.59 -39.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.79 HD22 ' HG3' ' A' ' 10' ' ' GLU . 2.8 mm? -69.3 -47.3 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 44.9 t80 -48.2 -36.26 13.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -69.67 -48.52 59.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -61.64 -53.67 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.88 -48.01 42.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.37 -48.15 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.63 -30.58 71.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -74.78 -30.34 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.02 -52.56 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -55.94 -25.67 44.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.05 -11.58 67.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.492 HD22 ' HB2' ' A' ' 88' ' ' ASP . 33.5 mt -111.19 17.76 20.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.2 mm -65.61 -39.78 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -68.5 -18.41 64.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.03 -16.57 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 128.88 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.1 t -80.91 146.88 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -36.16 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.2 mm-40 -75.18 -49.74 18.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' SER . 16.9 mm-40 -51.71 -48.21 63.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.7 -54.13 10.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.3 tp -59.51 -47.71 84.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.418 ' CE1' ' NH1' ' A' ' 37' ' ' ARG . 59.0 t80 -43.55 -42.79 5.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.827 HD21 HG11 ' A' ' 83' ' ' VAL . 23.5 mt -77.91 -26.04 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 5.8 t80 -65.42 -52.75 51.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -53.4 -65.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.806 ' O ' HG13 ' A' ' 41' ' ' VAL . 37.8 mtt85 -54.35 -40.7 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 3.1 t80 -63.37 -35.22 79.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 14.9 mmmt -77.31 -19.97 55.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -84.11 -30.3 26.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 37' ' ' ARG . 2.8 m -80.89 -26.33 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -92.13 -47.32 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.8 t -96.46 -66.58 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.62 -151.17 16.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 69' ' ' GLY . 2.1 m-20 -49.86 114.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.344 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ASN . 14.9 t -35.93 124.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -126.53 36.26 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.0 p -127.55 143.75 48.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.74 55.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.366 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HG3' ' HD2' ' A' ' 51' ' ' PRO . 15.0 tttp -45.2 128.52 5.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.76 172.0 13.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.314 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 t -73.79 135.95 43.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -47.16 -38.45 11.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -63.39 -48.35 78.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -64.29 82.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -49.34 64.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -47.12 -44.08 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.78 -22.84 54.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.539 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -63.63 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -45.85 -56.1 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 66.8 mttt -51.74 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.545 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 63.5 t90 -39.18 -48.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' LYS . 28.9 mt-10 -62.53 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -39.58 -52.23 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -72.73 -28.73 62.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 17.5 tptm -65.26 -48.48 73.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.79 -22.94 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.077 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.24 52.7 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.502 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -76.05 -38.42 35.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.4 32.45 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 m -92.04 -177.86 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -128.7 160.01 65.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.74 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.4 -32.44 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -75.51 -19.23 59.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.715 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -89.34 -23.82 22.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.41 ' HG2' ' CG ' ' A' ' 12' ' ' PHE . 26.3 mtt -78.57 -27.46 45.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.85 -46.14 89.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.727 ' O ' HG12 ' A' ' 83' ' ' VAL . 70.8 mm-40 -78.66 -36.77 43.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.2 t80 -62.38 -26.86 68.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.756 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -90.73 -66.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.073 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.524 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.79 -56.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.827 HG11 HD21 ' A' ' 34' ' ' LEU . 2.5 p -43.99 -57.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -50.41 -24.45 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.456 ' CD ' ' HA ' ' A' ' 82' ' ' ALA . 20.4 mtpp -76.08 -34.5 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -69.57 -32.15 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.89 -38.38 57.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.492 ' HB2' HD22 ' A' ' 22' ' ' LEU . 16.0 t70 -134.32 93.47 19.19 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.708 . . . . 0.0 110.835 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.0 Cg_endo -69.77 0.86 5.04 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.27 41.86 2.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.2 t90 . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.744 0.306 . . . . 0.0 110.938 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -115.34 175.69 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -44.49 160.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.59 152.48 20.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -110.81 36.16 3.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.0 p -76.82 160.81 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.32 158.23 9.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.76 -56.69 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -48.43 -55.92 9.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 5.5 pt-20 -35.05 -45.46 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 4.6 mm? -66.41 -51.19 59.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.549 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 53.5 t80 -47.15 -31.08 3.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -71.56 -49.67 38.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -62.59 -58.9 5.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.59 -50.53 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.68 -47.32 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.2 -31.1 72.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.819 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.4 t60 -72.97 -32.83 65.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 tt -44.74 -53.8 6.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -55.32 -26.89 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.09 -13.66 58.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.819 HD11 ' CD2' ' A' ' 18' ' ' HIS . 56.9 mt -110.02 19.18 19.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -66.9 -38.91 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -68.19 -26.39 65.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.2 m -96.89 -11.56 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.49 128.41 43.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' HD23 ' A' ' 31' ' ' LEU . 42.8 m -79.32 158.27 27.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.1 mmt-85 -39.68 -53.16 2.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.4 mp0 -59.9 -41.71 92.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.669 HE21 HD21 ' A' ' 87' ' ' LEU . 15.5 mm100 -58.01 -38.65 76.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -60.06 -42.43 94.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.646 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.8 tp -71.87 -51.0 24.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 48.1 t80 -38.63 -40.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.896 HD21 HG11 ' A' ' 83' ' ' VAL . 22.6 mt -78.83 -34.37 45.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LEU . 9.7 t80 -61.41 -60.34 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB2' ' CB ' ' A' ' 64' ' ' ALA . . . -43.2 -63.83 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.73 ' O ' HG13 ' A' ' 41' ' ' VAL . 21.8 mtt85 -55.88 -43.54 77.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 4.2 t80 -58.88 -26.72 64.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' HE3' ' CH2' ' A' ' 65' ' ' TRP . 26.8 mmmt -85.59 -27.23 25.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.955 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -78.22 -23.56 47.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.73 HG13 ' O ' ' A' ' 37' ' ' ARG . 3.2 m -88.53 -30.97 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -86.44 -50.09 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 t -96.23 -65.19 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.67 -122.41 5.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 46' ' ' CYS . 7.9 m120 -61.64 128.23 35.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 47' ' ' ASN . 2.4 t -36.82 -50.26 0.84 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' CYS . 24.1 p30 35.19 35.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' CYS . 8.0 p -135.07 147.78 64.0 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.094 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.81 49.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 49.9 tttt -62.12 139.2 96.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.712 . . . . 0.0 110.925 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.73 167.83 23.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 t -66.23 152.5 44.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -62.25 -49.38 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.432 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.9 m-85 -58.37 -41.51 84.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -68.82 78.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -65.32 -61.27 2.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' PHE . 20.7 mt-10 -35.26 -54.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.32 -28.93 67.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.442 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 56' ' ' PHE . 27.0 ttpp -56.82 -60.98 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.727 0.299 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -46.36 -49.31 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.646 ' HG2' HD11 ' A' ' 32' ' ' LEU . 22.6 mtpt -50.11 -63.81 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.528 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.1 t90 -50.66 -42.02 56.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -58.53 -65.61 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.41 ' CB ' ' HB2' ' A' ' 36' ' ' ALA . . . -47.44 -45.91 26.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.518 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 15.2 t90 -75.52 -23.17 56.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 23.6 tptt -74.64 -41.57 60.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.86 -26.52 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' GLY . 19.0 mt -83.82 54.98 3.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . . . -36.94 -79.11 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -124.16 50.93 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -79.84 149.09 31.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.1 m -73.96 157.2 87.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.669 0.747 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -57.61 -44.8 85.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.83 -24.99 64.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.701 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -86.27 -26.1 25.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.549 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 12.5 mtt -79.85 -31.4 40.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -58.88 -51.97 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.612 ' O ' HG12 ' A' ' 83' ' ' VAL . 31.1 mt-10 -72.98 -32.26 65.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.8 t80 -64.89 -25.34 67.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.635 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.1 mt -90.56 -65.34 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.66 -58.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.896 HG11 HD21 ' A' ' 34' ' ' LEU . 2.0 p -40.41 -59.83 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.677 ' H ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -49.43 -29.33 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 82' ' ' ALA . 29.7 mtpt -69.91 -34.65 73.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.52 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -70.75 -34.42 71.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.669 HD21 HE21 ' A' ' 30' ' ' GLN . 7.7 mt -74.48 -38.83 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.404 ' HB2' HD22 ' A' ' 22' ' ' LEU . 22.9 t70 -133.58 94.24 19.79 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.615 0.722 . . . . 0.0 110.821 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.1 Cg_endo -69.82 -13.01 33.94 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.637 2.225 . . . . 0.0 112.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -93.07 36.62 3.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.532 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 23.4 t90 -109.4 127.45 54.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.673 ' CB ' HD11 ' A' ' 95' ' ' ILE . 10.3 m120 -130.16 86.57 53.79 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.532 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 54.1 Cg_endo -69.75 -39.62 6.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.629 2.22 . . . . 0.0 112.406 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -87.96 86.7 7.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.673 HD11 ' CB ' ' A' ' 92' ' ' ASN . 50.8 mm -110.9 127.8 26.34 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 111.169 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -37.02 9.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -47.51 167.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -141.61 109.57 5.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -129.92 96.6 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.59 136.63 2.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -118.42 127.62 53.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.715 0.293 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -127.9 102.95 6.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.94 -45.37 93.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.9 p -51.43 100.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.91 -71.72 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -175.04 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.368 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.4 m -44.83 130.08 7.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.4 m -153.33 177.57 10.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -134.91 165.23 25.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 m -148.4 146.98 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.93 111.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -72.48 121.4 19.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 m -65.53 165.38 12.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.548 ' O ' HD22 ' A' ' 11' ' ' LEU . . . 65.41 53.6 31.42 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 78' ' ' GLN . 0.1 OUTLIER -40.95 -41.08 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -71.88 -57.73 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' ALA . 51.7 mm-40 -35.32 -47.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.548 HD22 ' O ' ' A' ' 7' ' ' GLY . 1.8 mm? -65.08 -50.87 64.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.552 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 63.2 t80 -44.08 -24.83 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -83.76 -49.7 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mtmm -63.76 -50.01 70.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.41 -46.12 47.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.087 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.79 54.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.76 -25.48 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -80.17 -27.83 38.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD12 ' OH ' ' A' ' 80' ' ' TYR . 1.9 tt -49.57 -46.64 49.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -60.63 -22.79 64.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -92.11 -11.13 60.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.474 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HB2' ' A' ' 88' ' ' ASP . 27.4 mt -112.02 17.64 19.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.4 mm -67.24 -36.19 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.1 -23.77 63.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -101.73 -14.3 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -90.7 138.59 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.1 p -89.63 149.59 22.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 5.7 ptp180 -39.53 -32.24 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 50.8 mt-10 -73.82 -51.04 17.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.778 HE22 HD21 ' A' ' 87' ' ' LEU . 9.6 mt-30 -53.23 -44.77 68.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.447 HD13 HD21 ' A' ' 19' ' ' LEU . 4.5 mm? -50.4 -39.45 47.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.628 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.7 tp -75.57 -48.11 23.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.562 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 62.6 t80 -42.82 -35.7 1.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.931 HD21 HG11 ' A' ' 83' ' ' VAL . 20.0 mt -83.15 -31.48 27.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.529 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 5.4 t80 -62.41 -56.65 16.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.559 ' HB2' ' CB ' ' A' ' 64' ' ' ALA . . . -49.37 -62.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.626 ' O ' HG13 ' A' ' 41' ' ' VAL . 40.4 mtt85 -53.5 -47.46 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.49 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 2.8 t80 -60.99 -30.99 70.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 20.9 mmmt -78.51 -24.09 45.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -78.96 -44.99 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.671 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -66.86 -24.61 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -90.28 -52.93 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.66 -63.9 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.32 -142.78 17.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -46.18 106.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 52.3 t -38.12 129.03 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -127.96 -32.89 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.0 p -51.4 151.43 5.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.52 48.11 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.695 2.264 . . . . 0.0 112.372 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -58.54 129.0 84.01 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.567 0.698 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.82 131.55 21.39 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.703 2.268 . . . . 0.0 112.289 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.23 152.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -54.21 -45.25 72.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.486 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 4.7 m-85 -49.96 -47.37 52.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -73.82 77.66 1.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.486 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -66.54 -58.51 5.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -38.57 -56.01 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.6 -20.69 77.41 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' PHE . 26.8 ttpp -64.68 -55.16 21.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -52.84 -44.0 66.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.628 ' HG2' HD11 ' A' ' 32' ' ' LEU . 26.7 mtpt -61.99 -46.86 87.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 82.3 t90 -62.77 -43.9 97.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -59.0 -65.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.559 ' CB ' ' HB2' ' A' ' 36' ' ' ALA . . . -39.11 -53.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.3 t90 -67.26 -37.22 83.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.504 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 18.1 tptm -57.17 -51.1 70.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.09 -36.13 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.7 mt -76.73 50.01 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.59 -74.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -113.1 49.89 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.6 m -90.28 136.69 32.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.0 m -63.54 150.72 89.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.677 0.751 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.414 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.83 -50.38 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.1 t -55.22 -46.0 75.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -57.97 -27.46 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.671 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -82.74 -25.86 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.541 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 8.2 mtt -78.71 -32.73 47.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.414 ' HG2' HD21 ' A' ' 8' ' ' LEU . 32.9 mt-30 -59.46 -54.22 49.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.835 ' O ' HG12 ' A' ' 83' ' ' VAL . 55.0 mm-40 -66.64 -43.75 83.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.6 t80 -53.26 -36.63 61.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.817 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -82.21 -65.69 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.516 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.63 -56.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.931 HG11 HD21 ' A' ' 34' ' ' LEU . 2.2 p -45.27 -56.21 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -50.65 -23.14 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -78.6 -38.6 39.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.503 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -64.23 -29.88 70.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.778 HD21 HE22 ' A' ' 30' ' ' GLN . 5.4 mt -79.79 -40.72 28.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.55 ' HB2' HD22 ' A' ' 22' ' ' LEU . 21.2 t0 -134.57 94.28 17.37 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.703 . . . . 0.0 110.864 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.3 Cg_endo -69.75 -7.21 20.48 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -94.69 45.31 2.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.553 ' CZ2' ' HG3' ' A' ' 93' ' ' PRO . 23.0 t90 -126.77 125.62 42.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -133.01 85.86 44.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.553 ' HG3' ' CZ2' ' A' ' 91' ' ' TRP . 53.6 Cg_endo -69.79 -20.87 34.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.659 2.24 . . . . 0.0 112.337 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -153.06 126.63 8.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -101.8 131.28 23.03 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -47.67 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.252 . . . . 0.0 112.382 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 31.7 tt0 -46.33 152.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.443 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 11.5 tptm -133.11 154.66 50.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -91.92 123.81 35.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.43 144.21 9.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.444 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 103' ' ' ALA . 3.5 tmmm? -79.73 132.04 36.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.762 0.315 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -52.17 88.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 101' ' ' LYS . . . -52.49 117.3 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.2 t -64.88 152.75 42.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.32 75.81 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.523 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 143.1 49.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.9 p -137.09 151.1 48.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m 50.45 42.28 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.502 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t -68.72 94.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 m -85.94 -54.95 4.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.07 57.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -104.16 90.76 3.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.7 p -96.86 123.03 40.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 99.75 38.31 3.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.513 HD12 ' CB ' ' A' ' 77' ' ' MET . 0.2 OUTLIER -34.57 -48.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 110.943 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -46.58 -63.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' ALA . 28.2 mm-40 -35.23 -52.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.426 ' H ' HD22 ' A' ' 11' ' ' LEU . 2.1 mm? -61.04 -46.07 92.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 80.7 t80 -48.74 -37.5 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -69.11 -57.24 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -54.62 -57.35 11.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.63 -54.07 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.149 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.36 -46.98 13.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.68 -28.64 69.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.449 ' NE2' HD21 ' A' ' 22' ' ' LEU . 4.9 t60 -77.62 -29.82 52.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' HG ' ' CD1' ' A' ' 34' ' ' LEU . 2.3 tt -45.7 -47.87 15.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -56.87 -30.03 63.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.33 -13.64 67.84 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.449 HD21 ' NE2' ' A' ' 18' ' ' HIS . 27.2 mt -107.04 17.71 22.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.2 mm -67.14 -30.41 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -81.14 -18.8 45.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 29.7 m -104.46 -15.18 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.167 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.95 123.27 34.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -72.6 155.36 40.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -41.89 -31.47 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.43 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 35.8 mt-10 -75.9 -46.06 32.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.475 HE22 HG23 ' A' ' 83' ' ' VAL . 14.3 mm-40 -54.18 -45.89 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.1 -44.13 51.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.9 tp -73.05 -44.47 60.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.642 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 32.1 t80 -47.41 -52.56 16.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.651 HD21 HG11 ' A' ' 83' ' ' VAL . 38.3 mt -62.49 -24.13 67.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.53 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.9 t80 -79.67 -45.84 18.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.8 -63.9 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.794 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 23.3 mtm-85 -64.56 -47.24 79.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.539 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -47.98 -40.67 23.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 13.6 mmmt -76.01 -28.44 57.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' CD ' ' O ' ' A' ' 68' ' ' LEU . 50.0 tp60 -73.4 -34.4 65.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.729 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 10.1 m -78.04 -24.74 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -87.55 -49.94 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.6 t -95.18 -65.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.31 -141.53 13.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -48.15 123.27 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.7 t -58.17 115.55 2.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -114.82 -34.82 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.8 p -44.41 148.3 0.89 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 143.39 50.57 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 76.9 tttt -56.86 136.42 79.2 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.608 0.718 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.54 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.74 173.09 11.46 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 t -79.43 141.63 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -50.34 -48.33 55.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -59.53 -35.34 74.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -75.39 78.31 2.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -63.91 -56.52 14.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' PHE . 39.9 mt-10 -35.14 -57.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.58 -42.94 53.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.517 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 19.4 ttpt -40.84 -56.62 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 57' ' ' GLU . 3.4 pt20 -55.26 -43.85 75.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.725 ' HG2' HD11 ' A' ' 32' ' ' LEU . 21.5 mtpt -58.54 -60.18 4.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.54 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.8 t90 -55.77 -38.61 70.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ALA . 11.4 mt-10 -62.72 -71.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.87 -56.38 1.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -63.14 -44.65 94.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 62' ' ' TRP . 8.7 tptp -49.46 -47.07 48.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.29 -26.38 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.443 ' O ' ' CD ' ' A' ' 40' ' ' GLN . 18.6 mt -89.77 50.84 1.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.56 -47.38 27.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -108.16 35.29 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.0 m -99.88 144.41 28.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 m -83.03 161.42 57.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.702 0.763 . . . . 0.0 110.788 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.481 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.8 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 p -60.98 -44.22 97.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.78 -15.73 43.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.794 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -93.23 -27.88 16.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.535 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.4 mtt -76.28 -32.22 58.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.439 ' HG2' HD21 ' A' ' 8' ' ' LEU . 32.2 mt-30 -57.91 -46.34 85.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.696 ' O ' HG12 ' A' ' 83' ' ' VAL . 41.8 mt-10 -76.29 -38.0 56.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.484 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 9.2 t80 -59.91 -24.86 64.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.851 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -91.63 -65.39 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.537 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -33.01 -55.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 79' ' ' GLU . 2.2 p -44.6 -58.76 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.8 m -49.39 -22.05 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -79.65 -36.86 37.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.98 -28.23 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.446 HD21 HE21 ' A' ' 30' ' ' GLN . 3.1 mt -83.17 -37.07 24.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 30.2 t70 -134.62 93.48 18.3 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.592 0.71 . . . . 0.0 110.873 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.2 Cg_endo -69.73 -8.58 23.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.253 . . . . 0.0 112.352 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.0 -10.34 69.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.559 ' CH2' ' HG3' ' A' ' 93' ' ' PRO . 30.5 t90 -68.77 125.44 26.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 41.5 p30 -134.96 85.39 34.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.559 ' HG3' ' CH2' ' A' ' 91' ' ' TRP . 54.1 Cg_endo -69.75 -41.87 3.92 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -116.33 116.13 27.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.74 129.82 24.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.729 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -42.34 3.52 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.24 . . . . 0.0 112.355 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 98' ' ' LYS . 9.5 tp10 -53.43 151.35 5.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 21.4 ttmt -135.78 147.71 48.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -51.99 170.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.31 72.88 0.68 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.517 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.08 42.16 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -123.57 136.01 54.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -172.76 140.58 0.99 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 77.4 p -57.42 -51.28 70.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.38 156.24 32.52 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 107' ' ' SER . 54.1 Cg_endo -69.75 2.61 3.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' PRO . 7.7 t -35.69 -52.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 t 67.98 47.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.516 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 p -85.02 83.92 7.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.839 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 p -88.69 159.98 17.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.17 41.12 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.521 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 m -65.41 142.42 58.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 m -114.9 102.86 10.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.435 ' O ' ' CG ' ' A' ' 10' ' ' GLU . . . -97.84 123.87 7.98 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.455 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.75 -51.06 8.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.68 -52.13 24.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 3.6 pt-20 -42.74 -44.05 4.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.4 mm? -69.76 -51.69 31.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.9 t80 -42.97 -35.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.51 -54.24 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.1 mtmm -59.11 -57.13 14.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.85 -47.75 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.98 -44.77 51.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.87 -29.12 70.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.639 ' CD2' HD11 ' A' ' 22' ' ' LEU . 3.5 t60 -75.67 -35.27 60.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.06 -46.27 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -60.73 -32.45 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -84.81 -8.08 83.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.639 HD11 ' CD2' ' A' ' 18' ' ' HIS . 31.8 mt -112.81 12.38 19.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.3 mm -61.83 -29.81 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -77.42 -18.23 57.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.439 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 35.9 m -107.4 -12.01 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.31 136.5 33.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.2 t -86.07 151.78 23.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -44.47 -30.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -79.69 -38.55 33.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.629 ' NE2' HD21 ' A' ' 87' ' ' LEU . 59.5 mt-30 -63.89 -42.72 97.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.19 -39.57 66.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD11 ' HG2' ' A' ' 61' ' ' LYS . 3.1 tp -72.94 -44.23 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CZ ' ' NH1' ' A' ' 37' ' ' ARG . 56.7 t80 -47.54 -38.9 15.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.737 HD21 HG11 ' A' ' 83' ' ' VAL . 13.3 mt -80.86 -20.93 41.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.569 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -72.63 -44.8 61.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.538 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -60.2 -63.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.082 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.583 ' NH1' ' CZ ' ' A' ' 33' ' ' TYR . 51.0 mtt85 -54.88 -47.06 74.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 9.8 t80 -58.05 -40.75 81.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.53 -18.88 62.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -82.32 -47.69 12.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.708 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -65.84 -27.2 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -86.83 -51.03 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.76 -64.65 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.0 -131.59 9.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.25 121.87 12.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 10.7 t -45.23 117.81 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.18 -29.4 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.7 p -60.5 146.97 84.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.601 0.715 . . . . 0.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 144.92 55.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.9 tttm -55.51 129.36 69.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.51 0.672 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.2 Cg_endo -69.75 167.91 23.05 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -70.51 155.69 40.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -64.83 -43.57 92.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.576 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.8 m-85 -68.11 -26.02 65.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -80.07 58.46 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -52.53 -55.52 21.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -40.59 -46.82 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.74 -14.64 60.91 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 22.3 ttpp -70.98 -64.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -43.52 -52.06 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.569 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.2 mtpt -50.75 -54.92 19.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.528 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.3 t90 -57.96 -39.21 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LYS . 19.4 mt-10 -62.26 -68.51 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -36.83 -51.06 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -70.66 -33.39 70.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.5 tptt -62.44 -45.93 90.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.44 -22.6 4.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 68.6 mt -89.32 52.41 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.92 -73.32 0.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -109.38 51.12 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.2 m -89.82 131.5 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -67.41 155.52 90.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.676 0.751 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.48 ' HA ' HG12 ' A' ' 41' ' ' VAL . 54.0 Cg_endo -69.74 -50.96 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.355 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 p -56.21 -46.08 79.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -61.27 -20.26 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.708 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -91.52 -21.48 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.522 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 12.6 mtm -87.08 -28.3 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.37 -49.9 73.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.691 ' O ' HG12 ' A' ' 83' ' ' VAL . 6.8 mm-40 -76.39 -31.88 58.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 11.2 t80 -63.03 -30.86 71.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.745 ' O ' HG22 ' A' ' 84' ' ' VAL . 7.8 mt -85.33 -64.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.142 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.609 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.64 -57.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.737 HG11 HD21 ' A' ' 34' ' ' LEU . 2.0 p -43.34 -59.65 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -49.94 -24.0 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -76.42 -44.13 37.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.609 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -59.0 -30.45 68.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.629 HD21 ' NE2' ' A' ' 30' ' ' GLN . 5.1 mt -77.68 -43.09 32.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.467 ' HB2' HD22 ' A' ' 22' ' ' LEU . 25.8 t0 -131.74 94.76 24.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.846 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.7 Cg_endo -69.77 -19.06 36.57 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.77 31.05 4.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 16.9 t90 -98.93 119.8 38.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.891 ' HB2' HD11 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -123.69 84.56 53.58 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 0.0 110.872 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -47.89 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.329 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -92.33 115.79 28.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.891 HD11 ' HB2' ' A' ' 92' ' ' ASN . 43.4 mm -132.18 124.15 19.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -38.94 7.14 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.733 2.288 . . . . 0.0 112.358 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.419 ' OE1' ' C ' ' A' ' 97' ' ' GLU . 1.1 tm-20 -53.49 154.49 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 tptp -119.06 146.69 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.78 134.71 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.15 -123.62 7.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.512 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.9 tttm -172.35 113.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.737 0.303 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -99.17 166.7 11.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -83.83 42.07 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -39.68 -69.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 152.67 -157.22 27.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -2.56 10.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.6 p -93.63 52.25 1.68 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.8 t -125.17 -60.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.4 p -113.93 42.96 1.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.816 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -147.25 167.78 23.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.94 117.11 0.66 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -80.22 -56.0 4.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.852 0.358 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.6 p -112.42 90.03 3.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.96 57.47 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -55.19 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.334 . . . . 0.0 110.924 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -51.1 -53.82 30.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.707 ' HG3' HD22 ' A' ' 11' ' ' LEU . 6.5 pt-20 -36.31 -39.8 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.707 HD22 ' HG3' ' A' ' 10' ' ' GLU . 2.0 mm? -75.05 -44.39 48.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.464 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 74.7 t80 -50.68 -29.81 12.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -75.68 -50.09 16.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' HE3' HD13 ' A' ' 11' ' ' LEU . 30.0 mtmt -61.79 -57.57 11.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.12 -51.69 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.23 -45.63 11.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.64 75.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.463 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.9 t60 -71.4 -33.62 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.522 HD11 HD12 ' A' ' 34' ' ' LEU . 1.7 tt -43.53 -54.11 5.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -52.29 -31.64 33.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.14 -12.87 72.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.553 HD22 ' HB2' ' A' ' 88' ' ' ASP . 33.6 mt -109.24 16.65 22.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.442 ' CD1' HD11 ' A' ' 31' ' ' LEU . 25.1 mm -65.87 -32.14 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -74.9 -17.79 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -107.57 -12.85 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.75 122.48 37.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' ARG . 35.6 m -73.32 152.29 40.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' SER . 10.0 ptm180 -35.13 -52.0 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.2 -48.18 82.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -50.04 -45.02 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.442 HD11 ' CD1' ' A' ' 23' ' ' ILE . 4.3 mm? -52.74 -52.85 54.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.4 tp -63.31 -42.82 99.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.488 ' HD2' HD23 ' A' ' 34' ' ' LEU . 77.2 t80 -45.78 -38.39 7.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.736 ' CD2' HG11 ' A' ' 83' ' ' VAL . 15.2 mt -83.34 -26.33 30.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.528 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.7 t80 -67.59 -49.01 65.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -52.23 -62.74 1.45 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.089 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.734 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 87.8 mtt-85 -54.27 -54.2 43.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -48.75 -37.03 17.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 19.0 mmmt -77.34 -21.3 53.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -83.36 -34.61 25.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.664 HG12 ' HB3' ' A' ' 76' ' ' ALA . 3.1 m -78.25 -25.23 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -90.91 -43.93 9.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -99.0 -66.52 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.4 -137.36 12.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -54.03 108.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.3 t -36.33 106.63 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.7 p30 -112.39 34.9 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.9 p -123.66 149.08 57.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.562 0.696 . . . . 0.0 111.142 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 148.91 66.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.404 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 23.3 ttmt -58.53 137.62 85.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.527 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.0 Cg_endo -69.71 -177.49 1.88 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.348 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -85.34 161.16 19.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -68.02 -38.65 82.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -72.85 -38.16 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -69.11 79.73 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -66.57 -56.2 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -42.38 -46.08 4.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.94 -16.95 71.17 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' PHE . 23.9 ttpp -70.63 -62.64 1.32 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.737 0.304 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.0 -45.37 61.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HG2' HD11 ' A' ' 32' ' ' LEU . 55.3 mttt -56.42 -62.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.527 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 92.4 t90 -50.77 -41.46 56.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' LYS . 15.1 mt-10 -61.45 -71.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -36.04 -51.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.3 t90 -71.35 -34.05 70.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' GLU . 45.6 tptt -60.17 -40.05 88.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.38 -24.43 65.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 20.5 mt -90.34 50.94 1.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.37 -49.83 11.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -100.49 21.93 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -80.73 178.57 8.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -122.8 157.21 60.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.481 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.5 Cg_endo -69.82 -50.53 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -62.76 -32.64 73.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -75.81 -19.81 58.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.734 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -86.1 -22.39 27.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.3 mtt -80.12 -45.73 17.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -47.37 -48.07 25.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.656 ' O ' HG12 ' A' ' 83' ' ' VAL . 38.4 mm-40 -76.12 -45.91 31.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 3.8 t80 -52.21 -32.62 37.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.691 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.3 mt -84.38 -64.8 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.518 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.49 -56.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.736 HG11 ' CD2' ' A' ' 34' ' ' LEU . 2.1 p -42.97 -56.82 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.1 m -51.26 -26.88 5.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 82' ' ' ALA . 3.9 mtpm? -72.46 -34.43 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.444 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.4 -32.7 68.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 84' ' ' VAL . 8.5 mt -73.98 -40.28 63.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.553 ' HB2' HD22 ' A' ' 22' ' ' LEU . 8.5 t0 -138.52 104.96 7.68 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.537 0.684 . . . . 0.0 110.894 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.72 -34.5 14.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.222 . . . . 0.0 112.397 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -75.41 49.5 2.32 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -111.55 123.7 50.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.507 ' ND2' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -126.98 94.41 39.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -28.75 24.96 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -134.19 125.37 27.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.492 HG23 ' HD2' ' A' ' 96' ' ' PRO . 3.8 mp -113.82 134.14 22.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.669 0.747 . . . . 0.0 111.088 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.492 ' HD2' HG23 ' A' ' 95' ' ' ILE . 53.7 Cg_endo -69.76 -45.04 1.74 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.303 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -49.46 171.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 16.9 ttpp -128.55 129.43 45.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -141.37 120.99 13.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.64 -106.24 0.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.49 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -48.79 124.99 9.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -109.48 170.35 8.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -94.91 160.79 14.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.9 p -109.53 -42.58 4.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 108.46 145.85 11.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 117.52 5.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 p -41.54 -56.64 2.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.4 t -161.77 129.84 4.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 m -90.32 103.65 16.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -116.28 103.53 10.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.19 62.38 0.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.466 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 p -89.57 121.71 32.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.4 p -157.23 144.73 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.47 54.73 0.4 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.9 -56.18 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.801 0.334 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -46.46 -52.56 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.508 ' HG3' HD22 ' A' ' 11' ' ' LEU . 3.1 pt-20 -38.98 -36.48 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.508 HD22 ' HG3' ' A' ' 10' ' ' GLU . 2.7 mm? -77.39 -44.8 28.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.0 t80 -47.71 -34.37 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -72.25 -53.03 13.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' CD ' ' O ' ' A' ' 93' ' ' PRO . 19.0 mtmm -58.08 -54.03 51.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -48.5 -50.26 32.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.077 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.91 -46.15 21.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.51 -24.23 67.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.568 ' CD2' HD11 ' A' ' 22' ' ' LEU . 3.1 t60 -81.67 -32.21 31.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.0 -46.09 16.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -59.44 -33.12 70.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.23 -13.0 72.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 18' ' ' HIS . 52.9 mt -106.09 14.68 27.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.2 mm -66.03 -32.11 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -75.7 -20.99 58.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.7 m -103.78 -12.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.11 135.25 34.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 29' ' ' GLU . 78.7 p -85.53 145.71 27.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -37.5 -30.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.459 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 22.5 mt-10 -75.5 -48.83 20.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.615 ' NE2' HD21 ' A' ' 87' ' ' LEU . 56.6 mt-30 -56.82 -34.12 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.96 -37.59 80.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.9 tp -77.06 -39.38 50.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -50.72 -37.3 40.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.856 HD21 HG11 ' A' ' 83' ' ' VAL . 26.1 mt -82.96 -22.45 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.548 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -68.42 -44.98 73.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.27 -64.75 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.094 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.69 ' O ' HG13 ' A' ' 41' ' ' VAL . 93.3 mtt-85 -54.81 -44.38 73.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD1' ' O ' ' A' ' 38' ' ' TYR . 4.6 t80 -62.32 -30.46 71.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 21.2 mmmt -82.46 -15.65 51.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -89.92 -38.19 13.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.9 m -73.66 -22.66 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -94.37 -50.68 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -91.24 -69.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.104 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.22 -149.06 16.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -42.37 123.51 2.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.9 t -60.51 113.79 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -111.89 -36.25 5.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.2 p -46.64 148.83 1.61 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.577 0.703 . . . . 0.0 111.14 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 154.63 67.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.718 2.279 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -67.55 136.6 93.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.539 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.2 Cg_endo -69.73 169.48 18.77 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.668 2.246 . . . . 0.0 112.398 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 t -71.58 150.81 44.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.824 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -60.68 -41.6 95.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.442 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 6.5 m-85 -66.25 -37.02 84.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -74.06 76.5 1.73 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -63.29 -55.85 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -38.52 -57.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.43 -15.61 80.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' PHE . 25.9 ttpt -73.64 -46.17 48.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.725 0.298 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -62.34 -44.71 95.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 21.4 mtpt -61.58 -54.54 41.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.539 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 90.6 t90 -58.9 -40.3 84.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' LYS . 13.3 mt-10 -61.18 -70.27 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.0 -48.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.437 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.5 t90 -70.34 -34.49 72.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' GLU . 30.6 tptt -60.92 -41.97 97.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.67 -28.73 22.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 27.3 mt -84.41 51.17 2.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.93 -76.39 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -103.82 51.79 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.2 m -87.05 173.51 9.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 m -111.98 155.53 43.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.485 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.3 Cg_endo -69.84 -50.82 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -41.91 98.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -66.82 -19.89 65.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.711 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -88.76 -20.73 24.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 25.1 mtt -83.62 -36.06 24.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -55.01 -50.89 67.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.659 ' O ' HG12 ' A' ' 83' ' ' VAL . 3.9 mm-40 -72.51 -43.79 63.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 1.5 t80 -56.89 -26.05 58.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.785 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -88.81 -64.5 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.084 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.78 -56.26 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.069 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.856 HG11 HD21 ' A' ' 34' ' ' LEU . 1.8 p -44.27 -57.57 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -50.68 -23.78 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.1 mtpt -76.25 -33.25 59.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.71 -32.14 67.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.615 HD21 ' NE2' ' A' ' 30' ' ' GLN . 8.7 mt -73.3 -41.1 63.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 8.8 t70 -137.28 104.98 8.58 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 110.912 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.5 Cg_endo -69.76 -28.6 25.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.55 52.65 4.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.463 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 19.0 t90 -110.39 116.21 31.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -113.14 86.41 9.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' O ' ' CD ' ' A' ' 14' ' ' LYS . 54.1 Cg_endo -69.71 -33.55 16.53 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.268 . . . . 0.0 112.342 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -94.65 85.26 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.404 HG23 ' HD2' ' A' ' 96' ' ' PRO . 2.0 mt -110.56 132.47 21.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.599 0.714 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 95' ' ' ILE . 54.0 Cg_endo -69.73 -50.0 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -45.14 167.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -150.23 136.0 18.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -47.52 -50.89 22.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.89 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 138.36 154.04 6.38 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.44 150.45 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.06 153.21 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 105' ' ' GLY . . . -82.87 42.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.4 t -59.68 83.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 103' ' ' ALA . . . 116.62 143.78 7.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -8.11 22.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.621 2.214 . . . . 0.0 112.325 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.4 t -42.95 124.23 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.6 t -113.78 128.84 56.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -60.94 170.5 1.53 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 m -95.08 88.18 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.9 163.17 35.18 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -70.9 158.29 36.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.357 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -116.92 171.02 8.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' HA3' ' CD ' ' A' ' 10' ' ' GLU . . . 171.35 132.89 1.54 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -61.49 1.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -41.17 -56.25 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 5.4 pt-20 -36.22 -52.48 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 4.5 mm? -62.49 -53.05 60.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 78.0 t80 -44.03 -34.78 1.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -70.83 -45.07 65.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -69.7 -55.1 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -41.82 -47.53 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.073 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.22 -49.62 22.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.04 77.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.71 -31.69 72.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -44.84 -53.57 7.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -53.17 -27.99 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.57 -12.85 66.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' HG22 ' A' ' 25' ' ' VAL . 32.9 mt -109.79 16.6 21.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.3 mm -63.74 -35.78 74.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -71.66 -17.14 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 22' ' ' LEU . 21.3 m -108.4 -15.17 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.18 113.82 22.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.6 m -65.33 152.98 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -40.33 -34.74 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -76.21 -44.55 37.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -54.84 -39.83 68.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.67 -41.97 74.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.721 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -74.87 -48.03 27.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.628 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 33.9 t80 -42.41 -54.31 3.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.657 ' CD2' HG11 ' A' ' 83' ' ' VAL . 44.6 mt -59.79 -33.63 71.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.524 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 8.3 t80 -68.62 -53.31 23.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.58 -69.92 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.75 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 23.7 mtm-85 -59.09 -46.13 89.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.4 t80 -50.7 -31.44 16.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 20.9 mmmt -84.12 -28.69 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -71.36 -34.77 70.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.937 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.712 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -73.74 -26.22 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -87.98 -51.25 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.0 t -97.35 -64.97 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.51 -118.29 4.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 46' ' ' CYS . 9.2 m120 -64.36 135.24 55.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 45' ' ' ASN . 21.1 t -35.94 105.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 45' ' ' ASN . 3.3 m120 -107.08 23.73 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.0 p -136.65 153.85 76.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 111.164 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 159.45 53.33 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 60.7 tttt -72.16 129.51 87.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.542 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.6 Cg_endo -69.74 148.18 64.66 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.377 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.9 t -61.22 170.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -76.22 -36.94 58.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -64.98 -32.93 74.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -85.06 79.29 9.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -65.34 -58.51 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 56' ' ' PHE . 33.8 mt-10 -35.01 -59.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.23 -30.91 73.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 32.2 ttpt -51.9 -57.15 10.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.69 ' OE1' HD13 ' A' ' 32' ' ' LEU . 2.9 pt20 -54.46 -43.6 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.721 ' HG2' HD11 ' A' ' 32' ' ' LEU . 18.0 mtpt -55.89 -55.27 34.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.542 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 70.5 t90 -61.07 -47.21 87.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -56.92 -65.39 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.35 -52.65 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.518 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 12.7 t90 -71.93 -26.01 62.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.485 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 30.1 tptt -68.9 -41.63 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.3 -19.79 15.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.94 51.44 1.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.88 -40.13 52.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -114.75 38.03 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 m -93.23 -175.07 3.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.6 m -130.11 157.57 76.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.717 0.77 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -36.72 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -73.0 -20.18 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.75 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -85.61 -26.04 26.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.075 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.566 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 13.1 mtt -77.43 -32.38 54.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -58.81 -49.42 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.649 ' O ' HG12 ' A' ' 83' ' ' VAL . 5.0 mm-40 -72.51 -35.06 68.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 14.1 t80 -64.74 -27.76 69.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.73 ' O ' HG22 ' A' ' 84' ' ' VAL . 9.2 mt -90.0 -66.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.461 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -32.81 -55.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.675 HG13 ' H ' ' A' ' 84' ' ' VAL . 2.5 p -44.54 -58.18 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -49.58 -25.69 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -81.03 -31.45 34.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.484 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -68.51 -26.59 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -86.97 -46.14 10.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.416 ' HB2' HD22 ' A' ' 22' ' ' LEU . 9.8 t70 -121.68 91.13 48.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.815 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -1.77 9.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.44 45.76 1.26 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -113.09 111.88 22.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.489 ' HB2' HD11 ' A' ' 95' ' ' ILE . 76.1 m-20 -111.49 89.34 10.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.639 0.733 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -23.33 31.01 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 -114.01 87.58 2.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.489 HD11 ' HB2' ' A' ' 92' ' ' ASN . 41.1 mm -87.11 131.84 43.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.644 0.735 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' A' ' 95' ' ' ILE . 53.6 Cg_endo -69.8 -45.95 1.39 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -43.94 166.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -118.44 121.46 40.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -144.86 148.48 34.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 140.63 73.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.95 167.76 0.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.74 0.305 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 103' ' ' ALA . 2.8 tp10 -99.79 121.19 40.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -37.23 -43.0 0.49 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.2 p -124.9 -52.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.91 -89.76 0.48 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -1.46 8.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t 69.83 53.56 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.2 t -75.8 -40.86 54.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m 63.61 40.58 7.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -129.33 138.87 51.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.54 -115.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -108.92 109.58 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.361 . . . . 0.0 110.884 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -131.4 105.62 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.26 -69.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -66.49 -40.02 89.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.837 0.351 . . . . 0.0 110.919 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -67.09 -52.95 35.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' ALA . 4.8 mm-40 -38.4 -50.36 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -61.35 -37.12 82.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.567 ' CD2' ' HG2' ' A' ' 77' ' ' MET . 53.5 t80 -61.97 -30.05 70.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -79.77 -47.25 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' HE3' HD12 ' A' ' 11' ' ' LEU . 34.2 mtmt -71.51 -56.51 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -40.13 -39.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.05 -45.19 71.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.85 -25.63 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.541 ' CD2' HD11 ' A' ' 22' ' ' LEU . 1.9 t60 -78.84 -33.37 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD21 HD13 ' A' ' 31' ' ' LEU . 0.8 OUTLIER -46.18 -45.65 16.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -62.03 -27.91 69.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.71 -14.32 63.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.541 HD11 ' CD2' ' A' ' 18' ' ' HIS . 23.4 mt -108.15 17.94 21.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.434 ' CD1' HD11 ' A' ' 31' ' ' LEU . 13.7 mm -67.65 -37.67 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -71.21 -20.34 62.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.2 m -103.5 -13.93 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.45 142.14 27.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 30' ' ' GLN . 73.3 m -91.37 145.08 24.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' SER . 11.2 ptp180 -35.37 -40.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mp0 -64.74 -46.77 80.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' SER . 76.1 mt-30 -60.33 -42.24 95.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.437 HD13 HD21 ' A' ' 19' ' ' LEU . 4.3 mm? -53.55 -34.72 59.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -81.29 -43.51 19.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -47.03 -34.75 6.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.953 HD21 HG11 ' A' ' 83' ' ' VAL . 15.1 mt -82.79 -24.29 33.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -69.14 -42.35 76.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 65' ' ' TRP . . . -62.72 -62.32 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.693 ' O ' HG13 ' A' ' 41' ' ' VAL . 16.5 mtp85 -50.27 -49.82 52.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 4.5 t80 -54.91 -40.28 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.965 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -76.02 -15.35 60.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -88.51 -35.24 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.907 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.0 m -76.98 -25.11 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -90.48 -52.13 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.25 -68.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.17 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.56 -132.06 9.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -56.33 118.33 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.0 t -38.49 125.37 1.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -130.53 33.67 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.1 p -130.51 150.29 75.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.529 0.68 . . . . 0.0 111.169 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 150.14 67.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 54.5 tttt -62.76 131.03 94.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.532 0.682 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.538 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.77 142.41 47.81 Favored 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.722 2.281 . . . . 0.0 112.344 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -50.28 149.53 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -56.18 -43.29 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.497 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 m-85 -57.07 -47.01 82.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -69.42 78.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.497 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -67.46 -57.14 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.1 mt-10 -37.82 -52.77 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.97 -19.7 77.09 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' PHE . 32.6 ttpt -69.2 -55.5 10.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.736 0.303 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -53.03 -47.39 68.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.632 ' HG2' HD11 ' A' ' 32' ' ' LEU . 21.6 mtpt -61.96 -43.86 97.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.538 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 85.9 t90 -62.31 -46.54 88.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -58.53 -62.29 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.06 -59.17 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.055 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.406 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 16.0 t90 -63.59 -40.75 97.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.7 tptp -53.08 -51.85 60.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.34 -28.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.2 mt -87.59 50.02 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.36 -54.59 28.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -103.86 38.64 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.808 0.337 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 m -82.8 -178.85 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m -124.99 152.98 71.14 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.666 0.746 . . . . 0.0 110.867 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.732 2.288 . . . . 0.0 112.321 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -66.21 -36.73 83.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -72.33 -21.9 61.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.907 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -80.54 -28.06 37.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.567 ' HG2' ' CD2' ' A' ' 12' ' ' PHE . 13.8 mtt -78.91 -30.3 44.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -56.09 -54.19 47.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 83' ' ' VAL . 38.5 mm-40 -75.53 -39.34 58.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 17.8 t80 -53.77 -37.76 63.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.744 ' O ' HG22 ' A' ' 84' ' ' VAL . 8.9 mt -82.59 -61.54 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.92 -56.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.073 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.953 HG11 HD21 ' A' ' 34' ' ' LEU . 2.5 p -44.27 -57.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.744 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -49.82 -25.23 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -81.2 -33.99 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -65.65 -26.5 67.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.418 HD21 HE22 ' A' ' 30' ' ' GLN . 0.8 OUTLIER -86.73 -42.57 13.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' HB2' HD22 ' A' ' 22' ' ' LEU . 11.6 t70 -132.19 92.33 29.25 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.599 0.714 . . . . 0.0 110.833 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -15.27 36.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.46 26.09 5.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.418 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 25.5 t90 -104.25 125.51 50.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.738 ' HB2' HD11 ' A' ' 95' ' ' ILE . 21.3 p30 -132.75 93.6 23.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.655 0.74 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -43.6 2.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.315 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -92.04 102.81 15.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.738 HD11 ' HB2' ' A' ' 92' ' ' ASN . 43.2 mm -134.2 129.32 19.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 111.086 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -43.21 2.79 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 0.0 112.319 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -52.6 156.27 1.92 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -125.31 116.68 22.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -152.17 106.47 3.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 142.89 -18.26 2.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.513 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.7 mmtt -99.09 52.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.731 0.3 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -109.82 80.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.15 99.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.3 m -164.22 142.07 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.95 -108.43 0.69 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 171.31 14.69 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.698 2.265 . . . . 0.0 112.35 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.8 t -96.65 103.65 15.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.8 m -55.46 167.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -69.03 133.6 48.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.874 0.368 . . . . 0.0 110.819 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -121.1 171.27 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.812 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.57 156.82 27.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.0 p -133.76 115.37 14.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -59.2 128.8 38.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.66 82.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.616 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -86.65 -34.55 19.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -76.27 -51.67 11.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.584 ' HG3' HD22 ' A' ' 11' ' ' LEU . 3.8 pt-20 -35.38 -38.92 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.584 HD22 ' HG3' ' A' ' 10' ' ' GLU . 3.7 mm? -75.53 -44.09 45.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 88.7 t80 -46.34 -38.99 9.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.07 -56.95 6.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -51.3 -53.17 38.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.77 -51.92 35.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.91 -47.2 11.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.93 -28.48 69.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -76.4 -31.2 57.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 34' ' ' LEU . 1.1 tt -46.41 -48.63 18.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -55.14 -29.22 57.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.969 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.7 -14.93 62.4 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 88' ' ' ASP . 23.6 mt -106.44 15.27 26.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.95 -32.55 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.41 -21.31 56.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 87' ' ' LEU . 23.4 m -102.66 -14.42 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -87.27 128.15 35.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' GLN . 62.7 m -81.33 150.07 28.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -37.78 -40.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -68.74 -44.39 73.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 27' ' ' SER . 17.0 mm-40 -58.9 -42.36 89.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.447 HD22 ' HB1' ' A' ' 26' ' ' ALA . 3.8 mm? -50.83 -43.74 59.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.1 tp -69.45 -54.32 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.638 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 29.9 t80 -35.63 -56.05 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.643 ' CD2' HG11 ' A' ' 83' ' ' VAL . 26.2 mt -58.41 -37.04 74.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.2 t80 -66.42 -47.09 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -47.63 -66.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.794 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 20.3 mtm-85 -63.14 -52.0 64.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.51 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 2.9 t80 -44.92 -41.58 7.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.526 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 17.0 mmmt -76.92 -24.89 52.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 37' ' ' ARG . 33.1 tp60 -76.33 -36.74 58.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.682 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 3.1 m -77.01 -22.95 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.7 mmtt -90.33 -43.54 10.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.2 t -102.1 -66.91 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 124.71 -122.11 4.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -61.1 133.34 55.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.762 0.315 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.6 t -77.05 53.68 0.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -53.9 -29.25 41.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.0 p -44.83 149.94 0.77 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 147.95 64.05 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.699 2.266 . . . . 0.0 112.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 72.7 tttt -64.95 135.14 96.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.872 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.548 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.76 155.16 66.67 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.707 2.271 . . . . 0.0 112.316 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -69.42 151.75 45.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -54.22 -39.47 66.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -57.21 -61.49 2.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.79 86.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -69.77 -62.75 1.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.5 mt-10 -35.17 -45.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.5 -36.59 43.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 19.5 ttpp -47.87 -65.11 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.32 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.483 ' OE1' HD13 ' A' ' 32' ' ' LEU . 4.1 pt20 -50.09 -44.87 52.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -54.58 -49.97 69.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.548 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 79.9 t90 -63.21 -46.06 88.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.13 -66.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.499 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -38.4 -53.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.444 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 14.0 t90 -70.3 -32.86 70.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -60.88 -51.04 70.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -44.26 -35.88 2.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.4 mt -83.47 53.23 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.34 -64.98 2.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.63 20.19 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.5 p -71.5 -176.86 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.9 m -123.02 159.64 53.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.648 0.737 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.43 ' HA ' HG12 ' A' ' 41' ' ' VAL . 54.3 Cg_endo -69.71 -50.99 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.727 2.284 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.7 t -62.17 -48.13 81.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -58.97 -15.67 14.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.794 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -92.34 -29.26 16.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.525 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 16.2 mtt -76.69 -26.72 55.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -63.25 -45.46 91.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.703 ' O ' HG12 ' A' ' 83' ' ' VAL . 6.5 mm-40 -77.84 -36.04 50.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 24.8 t80 -60.0 -27.35 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -89.7 -65.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.531 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.67 -56.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 79' ' ' GLU . 2.3 p -43.58 -58.51 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -50.45 -24.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 82' ' ' ALA . 3.2 mtpm? -75.51 -39.67 58.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.531 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -64.99 -30.86 71.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.83 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.487 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . 5.0 mt -80.22 -34.27 37.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' HB2' HD22 ' A' ' 22' ' ' LEU . 15.7 t0 -133.56 93.44 21.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 0.0 110.87 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.312 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -101.96 48.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.426 ' CZ2' ' HG3' ' A' ' 93' ' ' PRO . 22.4 t90 -120.37 127.09 51.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.752 0.311 . . . . 0.0 110.941 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -132.92 84.56 48.94 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.426 ' HG3' ' CZ2' ' A' ' 91' ' ' TRP . 54.2 Cg_endo -69.75 -1.94 9.32 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.357 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -170.18 117.95 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.99 130.3 30.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -46.64 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.333 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -46.02 155.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -116.64 161.5 19.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -90.67 127.31 36.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -52.73 -56.4 18.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.439 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -64.51 88.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.692 0.282 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -155.64 108.58 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.827 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -38.09 120.85 0.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.8 p -126.26 87.17 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.42 127.02 0.12 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 154.81 67.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.252 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.2 m -52.9 103.06 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 88.8 p -121.57 127.53 51.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.488 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -89.04 -47.07 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.7 t -163.86 161.59 23.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.26 -103.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 m -142.8 113.73 7.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' GLY . 8.7 t -120.36 161.95 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.65 76.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -92.02 -37.74 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -66.79 -56.27 11.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.694 ' HG3' HD22 ' A' ' 11' ' ' LEU . 9.7 pt-20 -38.07 -45.52 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.694 HD22 ' HG3' ' A' ' 10' ' ' GLU . 1.5 mm? -68.06 -37.87 81.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.544 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 83.1 t80 -57.67 -31.84 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.9 -50.09 16.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -57.53 -53.93 52.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.56 -47.65 49.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.59 -47.57 19.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -26.18 68.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' CD2' HD11 ' A' ' 22' ' ' LEU . 4.7 t60 -78.08 -31.38 50.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 tt -46.76 -50.45 18.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -57.13 -24.42 54.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.92 -12.69 60.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.521 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 88' ' ' ASP . 23.7 mt -109.71 14.18 23.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.75 0.309 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -60.68 -33.59 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -71.34 -23.22 61.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 30.6 m -103.98 -13.42 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.93 112.01 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -68.64 155.1 40.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.08 -37.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.78 -50.41 36.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' NE2' HD21 ' A' ' 87' ' ' LEU . 17.6 mm-40 -50.76 -41.35 56.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.11 -46.15 72.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.613 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.7 tp -69.21 -53.39 20.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.647 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 18.8 t80 -36.91 -56.05 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.757 HD21 HG11 ' A' ' 83' ' ' VAL . 56.9 mt -61.51 -32.7 72.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.504 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 5.2 t80 -69.41 -43.75 72.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.23 -64.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.781 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 28.5 mtm-85 -64.33 -43.05 95.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.505 ' CB ' ' O ' ' A' ' 34' ' ' LEU . 2.9 t80 -53.0 -36.1 60.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 22.0 mmmt -80.17 -27.15 39.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 -73.64 -29.3 62.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.935 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.71 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.9 m -85.15 -28.5 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.4 mmtt -86.82 -41.26 14.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.2 t -98.97 -65.56 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.62 -143.67 17.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' ASN . 28.0 t-20 -50.05 116.85 2.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 45' ' ' ASN . 5.8 t -37.34 95.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' ASN . 5.3 p-10 -107.86 26.8 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 p -117.7 153.7 50.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 148.93 66.48 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' CG ' ' HD2' ' A' ' 51' ' ' PRO . 26.9 ttmt -70.93 138.81 85.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.933 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 54.3 Cg_endo -69.72 162.12 43.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -66.78 171.01 5.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -75.76 -36.99 59.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.423 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 15.9 m-85 -70.75 -41.04 72.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.84 80.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -68.38 -57.33 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' PHE . 22.8 mt-10 -36.67 -52.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.31 -26.45 65.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 56' ' ' PHE . 22.8 ttpp -55.23 -59.25 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.35 -49.23 61.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.613 ' HG2' HD11 ' A' ' 32' ' ' LEU . 19.8 mtpt -50.53 -66.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 88.0 t90 -51.38 -37.9 50.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' ALA . 20.6 mt-10 -64.09 -71.51 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.26 -53.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 14.1 t90 -66.9 -43.97 82.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 tptp -50.34 -48.24 55.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.66 -27.44 2.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.72 49.73 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -58.83 -64.84 3.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -102.48 45.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m -98.76 130.91 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -67.04 157.9 83.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.664 0.745 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.5 t -57.93 -49.22 77.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -55.38 -24.52 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.781 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -83.59 -31.09 26.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.544 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 15.0 mtt -75.22 -29.24 60.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.2 -49.61 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.771 ' O ' HG12 ' A' ' 83' ' ' VAL . 23.6 mt-10 -74.71 -33.78 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 8.1 t80 -63.02 -29.72 71.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.776 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -87.49 -66.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.579 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.81 -56.83 0.37 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.771 HG12 ' O ' ' A' ' 79' ' ' GLU . 2.0 p -43.54 -59.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.776 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -49.49 -23.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -76.85 -40.0 49.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.579 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -63.58 -30.83 71.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 84' ' ' VAL . 6.0 mt -78.17 -40.29 38.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.572 ' HB2' HD22 ' A' ' 22' ' ' LEU . 18.9 t0 -134.54 94.55 17.08 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.74 -13.5 34.8 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.388 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.44 41.31 3.08 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.466 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -121.19 126.38 49.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -133.8 86.41 38.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.664 0.745 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -41.64 4.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -116.35 107.4 14.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.567 HG21 ' O ' ' A' ' 99' ' ' LYS . 2.3 mp -96.93 126.33 43.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.673 0.749 . . . . 0.0 111.088 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -49.39 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.46 ' HG2' ' CG2' ' A' ' 95' ' ' ILE . 3.4 pt-20 -47.96 171.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -92.02 43.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.567 ' O ' HG21 ' A' ' 95' ' ' ILE . 20.3 pttt -172.79 163.2 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.77 44.16 3.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -139.54 -176.74 4.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 103' ' ' ALA . 2.7 tt0 -77.41 132.21 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 102' ' ' GLU . . . -37.6 114.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.078 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.9 m -163.19 163.05 25.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 174.24 83.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.422 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 170.54 16.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.0 p -99.93 115.6 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.7 t -165.32 107.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 m -156.88 173.56 16.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 m -41.61 115.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.52 -135.7 7.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 6' ' ' SER . 84.6 p -57.48 -50.02 74.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 5' ' ' SER . 42.9 t -35.45 103.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.468 ' N ' ' OE2' ' A' ' 10' ' ' GLU . . . -63.1 140.81 45.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.531 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -92.35 -36.73 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -69.7 -52.34 26.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' OE2' ' N ' ' A' ' 7' ' ' GLY . 3.4 pt-20 -35.61 -41.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.2 mm? -75.57 -45.78 35.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.518 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 79.8 t80 -46.23 -28.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -76.27 -53.76 7.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -59.28 -48.68 80.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.29 -50.96 36.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.74 -39.86 26.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.71 -31.44 69.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.465 ' CD2' HD11 ' A' ' 22' ' ' LEU . 8.7 t60 -76.29 -31.04 58.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.94 -48.28 16.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -55.23 -31.93 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.4 -11.29 72.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 88' ' ' ASP . 50.9 mt -106.3 13.86 28.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.751 0.31 . . . . 0.0 110.912 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.603 HD12 HD11 ' A' ' 31' ' ' LEU . 40.6 mm -65.97 -35.71 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.66 -18.93 63.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -110.76 -10.32 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -94.39 122.94 37.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ARG . 26.4 m -78.01 154.22 31.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 27' ' ' SER . 10.1 ptt85 -36.84 -51.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -56.37 -45.13 80.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.499 HE21 HD21 ' A' ' 87' ' ' LEU . 14.9 mm-40 -55.49 -51.81 65.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.603 HD11 HD12 ' A' ' 23' ' ' ILE . 4.1 mm? -48.32 -42.84 32.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD11 ' HG2' ' A' ' 61' ' ' LYS . 1.6 tp -71.23 -52.68 17.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -40.15 -40.81 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.787 HD21 HG11 ' A' ' 83' ' ' VAL . 17.8 mt -77.15 -31.62 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.542 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.8 t80 -62.91 -58.66 6.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CD1' ' A' ' 35' ' ' TYR . . . -44.76 -68.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.763 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 15.9 mtt-85 -46.39 -50.74 16.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.41 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.8 t80 -50.22 -48.13 54.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -67.91 -16.85 64.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -84.7 -44.47 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.674 HG12 ' HB3' ' A' ' 76' ' ' ALA . 3.4 m -69.89 -26.74 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -86.22 -52.88 5.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 t -90.01 -66.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.39 -141.88 13.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.515 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -55.3 115.29 2.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.338 . . . . 0.0 110.843 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.6 t -39.35 126.16 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -126.15 -34.45 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.3 p -48.64 149.18 3.12 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.609 0.718 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 147.54 63.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.346 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.527 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 51.5 tttt -60.45 131.38 90.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.54 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.7 Cg_endo -69.76 156.81 62.37 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.645 2.23 . . . . 0.0 112.358 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -61.47 164.86 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -74.35 -44.01 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -67.7 -13.62 62.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.39 72.15 2.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -65.38 -54.74 24.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' PHE . 39.9 mt-10 -35.71 -44.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -91.79 -20.28 37.53 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.434 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' PHE . 26.9 ttpt -63.64 -67.9 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -39.36 -48.6 1.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 25.2 mtpt -53.88 -57.89 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.545 ' CH2' ' HD3' ' A' ' 66' ' ' LYS . 63.1 t90 -49.94 -61.34 2.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' LYS . 29.8 mt-10 -42.13 -65.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -41.22 -49.29 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.495 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 16.5 t90 -74.84 -21.31 59.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.545 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 14.4 tptm -74.75 -48.06 27.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.3 -27.3 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 46.5 mt -85.56 50.3 1.93 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.66 -48.92 46.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.513 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -109.02 37.45 2.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.773 0.32 . . . . 0.0 110.836 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.7 p -93.08 -178.62 4.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.5 m -126.68 158.83 66.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.74 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -50.61 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.73 -32.78 74.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -73.54 -21.1 60.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.763 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -84.12 -26.7 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.466 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 12.4 mtt -75.95 -34.7 59.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -57.01 -58.86 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.642 ' O ' HG12 ' A' ' 83' ' ' VAL . 12.7 mt-10 -67.28 -33.11 74.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.532 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 6.2 t80 -63.09 -30.59 71.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.848 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.2 mt -87.28 -64.31 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.125 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.499 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.7 -55.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.787 HG11 HD21 ' A' ' 34' ' ' LEU . 2.2 p -44.95 -58.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.7 m -49.56 -22.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.072 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -79.3 -41.44 28.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -61.62 -28.68 69.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 84' ' ' VAL . 3.3 mt -81.1 -41.53 22.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.586 ' HB2' HD22 ' A' ' 22' ' ' LEU . 31.5 t70 -131.53 93.44 28.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.7 Cg_endo -69.77 -7.07 20.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.13 35.92 4.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -105.66 116.95 32.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -119.44 84.37 29.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -25.81 27.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -108.11 112.93 25.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.5 mm -125.24 125.36 25.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -50.42 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -44.04 154.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -81.68 0.7 37.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -175.98 164.86 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -146.95 40.39 1.02 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.52 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -132.71 142.21 48.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -87.2 84.85 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.32 92.81 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 t 49.58 39.3 16.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -65.55 175.35 16.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -173.39 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.1 m -107.51 -47.36 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 m -60.55 146.27 45.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.465 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 3' ' ' SER . 74.4 p -50.35 166.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.849 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 2' ' ' SER . 28.0 m -36.51 121.35 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.61 68.94 0.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -122.43 160.88 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 t -94.39 99.13 11.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.34 112.42 3.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -91.02 -38.48 12.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.11 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HG3' HD22 ' A' ' 11' ' ' LEU . 3.0 pt-20 -42.28 -37.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.577 HD22 ' HG3' ' A' ' 10' ' ' GLU . 3.0 mm? -80.3 -42.04 23.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.54 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 72.0 t80 -49.59 -41.16 41.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.74 -55.33 20.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -55.55 -57.24 12.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.2 -49.04 4.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.6 -46.71 19.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.46 -33.31 75.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -71.45 -32.26 68.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.5 tt -45.79 -52.06 11.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -54.49 -29.43 50.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.54 -12.89 66.26 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.562 HD22 ' HB2' ' A' ' 88' ' ' ASP . 27.7 mt -107.89 16.85 23.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.8 mm -68.61 -33.86 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.16 -16.89 61.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -107.69 -19.41 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.83 149.02 26.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 28' ' ' ARG . 26.6 m -103.88 154.28 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 27' ' ' SER . 13.9 ptp180 -34.93 -43.88 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -60.26 -63.63 1.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -43.72 -50.13 7.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.414 HD23 ' O ' ' A' ' 27' ' ' SER . 4.4 mm? -46.55 -34.08 4.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -84.61 -46.8 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -46.79 -37.47 8.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.779 HD21 HG11 ' A' ' 83' ' ' VAL . 19.7 mt -81.02 -23.62 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.55 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.2 t80 -72.89 -45.9 55.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.553 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -60.08 -64.7 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.086 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.706 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 14.6 mtp85 -49.65 -42.82 46.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 38' ' ' TYR . 5.6 t80 -59.08 -45.02 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -71.25 -13.88 62.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 40.5 tp60 -87.01 -40.26 14.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 37' ' ' ARG . 2.1 m -71.08 -25.86 26.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -89.45 -51.82 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.8 t -87.42 -68.2 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.25 -102.35 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -81.37 111.95 18.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.9 t -41.48 113.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.78 37.31 4.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 p -121.76 146.72 46.48 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.56 0.695 . . . . 0.0 111.172 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.42 48.0 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -54.03 129.74 58.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.899 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.79 155.08 66.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.301 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -54.8 156.84 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -68.29 -42.69 79.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.501 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 9.9 m-85 -66.03 -33.24 75.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.1 76.41 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.501 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -66.3 -57.28 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -38.14 -46.55 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.66 -22.63 59.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 56' ' ' PHE . 25.1 ttpp -67.04 -65.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -39.35 -50.65 2.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 84.4 mttt -57.17 -62.38 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 85.6 t90 -43.97 -44.22 7.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 66' ' ' LYS . 18.0 mt-10 -60.38 -68.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -34.12 -53.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 20.8 t90 -71.27 -37.4 71.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 63' ' ' GLU . 20.2 tptt -55.72 -39.74 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.95 73.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.474 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 10.9 mt -80.13 53.44 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.46 -26.46 47.05 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -123.43 25.42 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -90.8 -175.65 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 m -123.67 158.58 58.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.53 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 m -63.52 -37.37 87.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -69.57 -20.64 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.706 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -83.02 -29.59 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.558 ' HB2' HD12 ' A' ' 8' ' ' LEU . 31.1 mtt -74.57 -34.73 62.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.24 -56.19 16.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.74 ' O ' HG12 ' A' ' 83' ' ' VAL . 5.3 mm-40 -71.59 -34.98 70.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.8 t80 -60.03 -31.92 70.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.77 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.5 mt -85.76 -64.9 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.16 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.72 -56.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.779 HG11 HD21 ' A' ' 34' ' ' LEU . 2.1 p -44.0 -57.63 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -51.21 -23.81 2.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -76.07 -38.0 57.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.431 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.62 -31.0 71.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 84' ' ' VAL . 5.3 mt -75.46 -46.04 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.562 ' HB2' HD22 ' A' ' 22' ' ' LEU . 23.0 t70 -127.95 101.85 22.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.621 0.724 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.6 Cg_endo -69.82 -18.51 36.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.313 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -97.57 50.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.499 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 17.0 t90 -106.38 124.88 50.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -122.28 88.45 48.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.566 0.698 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.499 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 54.0 Cg_endo -69.76 -28.11 25.63 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -97.4 85.2 3.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.64 125.98 29.74 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -44.99 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -41.42 150.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -108.15 126.39 52.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 98' ' ' LYS . 17.5 ptmt 36.72 48.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -105.03 42.8 1.8 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -127.27 144.8 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.93 156.78 29.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -164.22 158.88 19.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.5 m -140.18 169.16 18.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.818 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.99 -156.26 45.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 171.35 14.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.345 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.4 p -133.63 -179.38 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.7 t -117.59 133.9 55.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 p -172.56 152.24 2.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 m -130.9 -48.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.8 112.9 1.29 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -99.89 -53.35 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.3 p -87.04 138.89 31.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.69 44.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -53.83 -45.18 70.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 0.0 110.921 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -48.03 -60.3 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . 29.1 mm-40 -35.2 -53.03 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 12' ' ' PHE . 1.6 mm? -63.88 -53.15 54.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.691 ' N ' HD11 ' A' ' 81' ' ' ILE . 67.4 t80 -36.42 -36.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -78.47 -54.77 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -48.86 -51.95 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.3 -50.37 67.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.1 -45.94 8.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -29.48 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.464 ' CD2' HD11 ' A' ' 22' ' ' LEU . 9.6 t60 -76.6 -29.89 56.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.5 -47.49 27.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -57.11 -27.03 61.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.44 -11.97 63.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 88' ' ' ASP . 25.6 mt -108.86 13.45 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.42 HD13 HD11 ' A' ' 31' ' ' LEU . 19.4 mm -63.19 -34.77 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -72.07 -22.22 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -103.73 -13.06 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -96.19 123.28 39.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 p -74.79 156.88 36.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 29' ' ' GLU . 3.0 ppt_? -43.61 -34.62 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 27.0 mt-10 -72.37 -44.87 61.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.57 -35.99 75.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.42 HD11 HD13 ' A' ' 23' ' ' ILE . 3.8 mm? -62.57 -34.47 77.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 64' ' ' ALA . 1.7 tp -78.33 -42.93 29.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -49.24 -38.94 28.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.053 HD21 HG11 ' A' ' 83' ' ' VAL . 22.3 mt -83.39 -20.18 34.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 2.7 t80 -76.12 -48.16 21.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 65' ' ' TRP . . . -57.79 -61.02 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.063 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.746 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 36.7 mtt-85 -53.45 -44.56 68.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -56.43 -33.89 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -80.91 -20.34 42.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 5.0 tp-100 -80.79 -32.2 35.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 37' ' ' ARG . 2.8 m -81.43 -22.87 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -97.18 -52.65 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 t -86.22 -68.88 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.91 -147.51 18.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -44.56 125.99 5.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.6 t -46.17 118.54 1.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.27 39.73 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.4 p -136.03 152.88 76.35 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.633 0.73 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 148.39 64.5 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -68.44 138.14 91.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.619 0.723 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' CG ' ' HA ' ' A' ' 59' ' ' LYS . 53.8 Cg_endo -69.7 164.96 32.54 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -85.04 147.19 26.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -46.08 -40.49 10.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -57.97 -55.28 36.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -67.7 83.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -67.92 -60.27 2.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' PHE . 25.5 mt-10 -36.52 -44.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.41 -30.65 48.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 56' ' ' PHE . 21.1 ttpp -53.79 -64.21 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -50.91 -46.85 60.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -53.82 -60.1 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.468 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 80.4 t90 -53.73 -45.0 70.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.873 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 66' ' ' LYS . 32.5 mt-10 -58.69 -69.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.461 ' HB2' HD23 ' A' ' 32' ' ' LEU . . . -35.92 -52.66 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.461 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 15.3 t90 -72.28 -31.01 65.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 63' ' ' GLU . 42.9 tptt -62.64 -40.69 97.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -55.04 -30.72 60.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 55.6 mt -84.76 52.35 2.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.04 -75.48 0.17 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -112.23 51.17 0.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.2 m -90.85 135.03 34.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -63.0 154.0 78.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.675 0.75 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' O ' HG12 ' A' ' 41' ' ' VAL . 53.7 Cg_endo -69.78 -50.15 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 p -58.58 -48.79 79.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -55.8 -21.5 19.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.746 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -87.17 -30.95 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.488 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 6.1 mtt -74.02 -32.73 63.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -58.21 -45.97 86.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.824 ' O ' HG12 ' A' ' 83' ' ' VAL . 59.7 mm-40 -76.99 -42.97 36.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 2.4 t80 -54.46 -32.49 57.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.82 ' O ' HG22 ' A' ' 84' ' ' VAL . 4.7 mt -86.55 -65.7 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.1 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.538 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.82 -56.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.053 HG11 HD21 ' A' ' 34' ' ' LEU . 2.3 p -44.72 -58.57 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.5 m -48.36 -22.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -79.76 -35.78 38.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.459 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -66.68 -29.42 69.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mt -79.92 -39.67 29.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.497 ' HB2' HD22 ' A' ' 22' ' ' LEU . 26.1 t0 -134.12 92.13 22.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.919 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.1 Cg_endo -69.67 2.82 3.14 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.714 2.276 . . . . 0.0 112.35 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -108.78 33.73 6.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.3 t90 -108.0 135.75 48.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -138.06 120.21 10.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.584 0.707 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.42 ' HB3' HD12 ' A' ' 11' ' ' LEU . 53.6 Cg_endo -69.72 -31.79 20.01 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.722 2.282 . . . . 0.0 112.32 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -84.91 84.96 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 40.1 mm -126.22 123.62 24.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -35.69 12.26 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -46.9 156.96 0.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -110.56 87.12 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -138.71 121.77 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.26 125.16 5.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -77.88 -65.8 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.723 0.297 . . . . 0.0 110.887 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 60.02 54.29 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 101' ' ' LYS . . . -47.26 116.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.6 t -64.13 162.19 14.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -158.14 164.16 33.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.37 44.93 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.659 2.24 . . . . 0.0 112.342 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.4 p -146.47 134.04 20.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.4 m -116.06 175.9 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.455 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -124.86 129.54 50.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 p -117.49 78.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.21 -153.06 7.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m 42.99 49.76 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -97.95 81.81 2.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.04 100.84 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.475 HD21 ' HG2' ' A' ' 78' ' ' GLN . 0.2 OUTLIER -80.87 -65.71 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -46.69 -53.12 12.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -35.94 -58.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -56.97 -54.43 46.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 38' ' ' TYR . 83.8 t80 -34.28 -36.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' LEU . 10.4 mm-40 -76.72 -46.07 26.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -71.77 -56.54 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.561 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -42.33 -41.4 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.86 65.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -31.94 73.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.434 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.0 t60 -71.3 -33.59 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.455 HD21 HD13 ' A' ' 31' ' ' LEU . 1.5 tt -44.13 -53.34 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -55.18 -27.48 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.89 -11.52 67.72 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 88' ' ' ASP . 29.8 mt -111.32 15.84 21.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.542 ' CD1' HD11 ' A' ' 31' ' ' LEU . 20.6 mm -64.07 -33.42 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -74.0 -21.09 60.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 22' ' ' LEU . 27.5 m -104.39 -15.09 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.03 128.6 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 28' ' ' ARG . 65.3 m -77.2 146.61 36.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' SER . 3.5 ptp180 -35.34 -41.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.46 -50.81 63.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 27' ' ' SER . 20.1 mt-30 -52.24 -43.43 64.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.542 HD11 ' CD1' ' A' ' 23' ' ' ILE . 4.3 mm? -51.21 -42.03 60.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.8 tp -74.86 -46.03 39.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -43.59 -39.91 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.958 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.915 HD21 HG11 ' A' ' 83' ' ' VAL . 19.9 mt -77.12 -28.37 54.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 1.7 t80 -67.92 -49.45 61.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.69 -66.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.566 ' O ' HG13 ' A' ' 41' ' ' VAL . 19.1 mtp85 -47.33 -51.36 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 17.9 t80 -52.76 -44.5 66.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -71.91 -13.01 61.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -89.02 -40.91 12.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.865 HG12 ' HB3' ' A' ' 76' ' ' ALA . 1.7 m -70.48 -25.78 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -89.68 -48.59 7.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.8 t -94.95 -65.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 117.88 -128.12 7.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.504 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -59.08 114.58 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.4 t -56.94 97.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -89.07 -38.71 14.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.7 p -40.19 146.17 0.43 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.6 0.714 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 154.95 67.02 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.715 2.276 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 60.0 tttt -62.55 134.3 95.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.533 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.73 171.15 14.96 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -71.47 153.09 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -63.86 -40.27 96.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -67.83 -42.12 81.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -67.53 80.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -65.93 -61.12 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' PHE . 24.9 mt-10 -34.93 -51.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.52 -33.68 47.05 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 28.7 ttpp -56.16 -64.49 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.714 0.293 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -47.4 -42.35 21.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -60.19 -56.37 22.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.548 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 86.6 t90 -55.55 -46.5 77.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 66' ' ' LYS . 19.2 mt-10 -55.19 -68.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -38.97 -50.11 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.489 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 14.9 t90 -74.8 -24.82 58.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.548 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.0 tptt -70.32 -45.23 66.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.1 -20.08 3.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.0 mt -92.82 51.2 1.67 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.942 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.89 -50.17 49.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -109.09 40.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 m -88.69 -178.28 5.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 m -125.57 156.15 71.09 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.708 0.766 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.13 -40.79 90.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -67.39 -24.92 65.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.865 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -80.65 -25.23 38.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.504 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.7 mtm -82.26 -27.99 32.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.475 ' HG2' HD21 ' A' ' 8' ' ' LEU . 34.3 mt-30 -60.58 -52.33 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.498 ' O ' HG12 ' A' ' 83' ' ' VAL . 77.8 mm-40 -76.22 -33.96 59.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.4 t80 -61.59 -36.34 80.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.605 HD11 ' N ' ' A' ' 12' ' ' PHE . 5.3 mt -82.79 -62.79 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.48 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.51 -57.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.915 HG11 HD21 ' A' ' 34' ' ' LEU . 2.2 p -39.47 -59.74 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.7 ' H ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -48.78 -32.51 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 82' ' ' ALA . 6.3 mtmt -74.13 -34.42 63.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -64.2 -29.09 70.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.62 -42.14 14.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.516 ' HB2' HD22 ' A' ' 22' ' ' LEU . 15.4 t70 -134.51 95.21 16.32 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.809 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.0 Cg_endo -69.8 -20.28 34.83 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.334 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.01 40.9 3.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 6.4 t90 -103.89 119.69 39.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.807 0.337 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.565 ' CB ' HD11 ' A' ' 95' ' ' ILE . 59.9 m-20 -116.32 96.71 48.33 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -41.32 4.36 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -94.62 102.53 14.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.565 HD11 ' CB ' ' A' ' 92' ' ' ASN . 21.7 mm -120.84 129.71 25.18 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -41.81 3.99 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.663 2.242 . . . . 0.0 112.397 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -55.85 141.83 37.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -81.06 136.89 36.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -55.81 150.44 12.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 102.32 114.93 3.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.51 145.55 29.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.311 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 47.43 28.61 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.77 -51.11 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.3 t -148.39 178.82 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -128.59 159.13 21.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 107' ' ' SER . 53.4 Cg_endo -69.81 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.375 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' PRO . 19.9 m -35.52 137.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.2 t -128.5 142.24 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.497 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -150.82 165.27 34.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -65.01 125.41 24.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -72.8 -121.03 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 63.9 m 36.9 48.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.842 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 m -98.97 139.05 35.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.62 75.63 1.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.87 -47.22 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.36 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -56.72 -53.87 52.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' HG3' HD22 ' A' ' 11' ' ' LEU . 2.1 pt-20 -35.63 -39.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.444 HD22 ' HG3' ' A' ' 10' ' ' GLU . 4.1 mm? -74.07 -46.69 41.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 81.5 t80 -45.1 -37.77 4.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.67 -55.94 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -56.73 -55.49 33.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -43.72 -51.1 7.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.39 -44.04 34.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.01 -33.56 75.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' GLY . 1.6 t60 -71.16 -35.41 71.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 34' ' ' LEU . 2.2 tt -41.45 -52.95 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -50.74 -34.37 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -83.75 -14.72 72.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.537 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 88' ' ' ASP . 36.2 mt -106.32 13.87 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.336 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.7 mm -64.52 -30.43 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -77.04 -21.0 55.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 22' ' ' LEU . 27.4 m -101.93 -16.59 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.33 131.49 37.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 30' ' ' GLN . 1.5 m -84.04 151.75 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.795 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.0 ptp180 -36.37 -45.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.833 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.19 -42.71 96.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.574 HE22 HD21 ' A' ' 87' ' ' LEU . 10.0 mt-30 -60.92 -36.08 78.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.18 -47.0 86.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.4 tp -63.75 -50.64 68.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.727 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 28.7 t80 -41.8 -45.88 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.87 HD23 ' NH2' ' A' ' 37' ' ' ARG . 30.0 mt -70.84 -27.21 63.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 5.4 t80 -72.85 -53.84 10.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.67 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.08 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.87 ' NH2' HD23 ' A' ' 34' ' ' LEU . 80.1 mtm180 -51.27 -50.88 58.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.414 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 10.1 t80 -47.56 -31.2 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -82.32 -30.14 30.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -75.92 -27.39 57.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.754 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 3.2 m -87.48 -26.31 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 43.0 mmtt -93.26 -52.32 4.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.1 t -82.29 -69.95 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 131.42 -118.38 2.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 47' ' ' ASN . 12.3 m120 -80.29 123.98 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.9 t -53.89 85.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' ASN . 10.0 p30 -99.48 30.87 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 p -111.27 148.69 39.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 111.174 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 155.16 66.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.236 . . . . 0.0 112.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.6 tttm -67.6 128.44 93.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.541 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.76 136.04 31.98 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.678 2.252 . . . . 0.0 112.388 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 t -48.96 142.39 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.818 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 53' ' ' PHE . 5.4 t80 -50.16 -37.94 37.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 4.0 m-85 -57.52 -42.84 83.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -77.43 83.19 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -71.05 -58.47 3.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' PHE . 25.4 mt-10 -36.95 -42.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.66 -27.34 32.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 56' ' ' PHE . 22.5 ttpp -54.19 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.737 0.303 . . . . 0.0 110.836 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -40.45 -55.67 2.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 7.0 mttp -49.27 -65.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.541 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 68.0 t90 -41.96 -47.87 4.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' LYS . 35.7 mt-10 -60.91 -71.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -37.48 -51.9 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.455 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.2 t90 -70.78 -33.7 71.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 63' ' ' GLU . 41.6 tptt -60.53 -44.61 95.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.25 -30.02 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.1 mt -81.31 52.91 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -51.12 -76.3 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -104.33 52.07 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.793 0.33 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.2 m -93.26 147.79 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -87.28 158.28 52.42 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.708 0.766 . . . . 0.0 110.818 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -50.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.67 2.247 . . . . 0.0 112.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -34.87 74.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.38 -23.38 63.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.796 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -86.64 -26.82 24.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.551 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 13.6 mtt -80.18 -35.48 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.12 -53.19 54.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.508 ' C ' ' NH1' ' A' ' 37' ' ' ARG . 6.3 mm-40 -75.48 -38.94 59.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.55 ' N ' ' NH1' ' A' ' 37' ' ' ARG . 6.5 t80 -50.7 -32.71 20.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.736 ' O ' HG22 ' A' ' 84' ' ' VAL . 9.4 mt -84.78 -60.57 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.144 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.91 -57.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.758 HG11 HD21 ' A' ' 34' ' ' LEU . 2.8 p -44.04 -57.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.0 OUTLIER -49.19 -25.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.185 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -80.64 -34.33 35.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -65.75 -25.75 67.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.574 HD21 HE22 ' A' ' 30' ' ' GLN . 0.5 OUTLIER -90.02 -40.77 12.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.538 ' HB2' HD22 ' A' ' 22' ' ' LEU . 15.8 t0 -132.32 92.21 29.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.635 0.731 . . . . 0.0 110.862 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -27.13 26.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.23 44.42 2.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.42 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 14.3 t90 -116.27 122.04 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 110.955 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -122.66 90.95 49.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 53.8 Cg_endo -69.75 -29.41 23.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -139.44 115.53 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.41 HG23 ' HD2' ' A' ' 96' ' ' PRO . 3.9 mp -107.84 132.62 20.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.41 ' HD2' HG23 ' A' ' 95' ' ' ILE . 53.9 Cg_endo -69.77 -49.89 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -49.91 167.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -140.95 134.87 30.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.6 pttm -65.59 101.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 112.28 66.72 0.51 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 102' ' ' GLU . 18.9 mmtp -126.11 92.15 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 101' ' ' LYS . 27.0 mt-10 -35.16 -52.21 0.58 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -167.75 142.59 3.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 t -124.47 83.57 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -116.23 -158.31 11.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.466 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 107' ' ' SER . 53.6 Cg_endo -69.72 1.22 4.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.356 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 106' ' ' PRO . 2.1 m -37.28 151.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 61.9 p -41.63 -50.19 4.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -113.21 148.74 34.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -68.93 164.13 22.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.33 46.67 92.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -139.38 149.55 44.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -174.82 124.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.73 46.64 1.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.424 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -41.17 -41.54 1.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.922 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -52.9 -61.78 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' ALA . 56.4 mm-40 -35.42 -58.25 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.511 ' H ' HD22 ' A' ' 11' ' ' LEU . 1.9 mm? -52.99 -54.84 29.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.553 ' N ' HD11 ' A' ' 81' ' ' ILE . 91.3 t80 -40.19 -29.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -74.93 -49.39 20.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -54.34 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB2' ' CH2' ' A' ' 91' ' ' TRP . . . -45.19 -49.76 11.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.19 -49.59 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.7 -32.54 67.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.7 ' CD2' HD11 ' A' ' 22' ' ' LEU . 3.6 t60 -70.45 -34.5 72.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.97 -53.74 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -53.97 -30.5 47.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.49 -13.49 65.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.457 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.7 HD11 ' CD2' ' A' ' 18' ' ' HIS . 44.7 mt -107.69 17.43 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.318 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.9 mm -66.67 -41.44 88.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -65.51 -18.75 65.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 22' ' ' LEU . 34.3 m -106.03 -20.64 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.28 125.05 32.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 30' ' ' GLN . 52.8 m -75.8 150.14 37.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 10.1 ptp180 -38.06 -41.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 10.6 mt-10 -69.53 -41.77 75.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.513 HE22 HD21 ' A' ' 87' ' ' LEU . 29.6 mt-30 -59.57 -29.49 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -41.7 81.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.26 -41.08 77.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -50.21 -42.74 52.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.046 HD21 HG11 ' A' ' 83' ' ' VAL . 25.9 mt -80.63 -15.78 55.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 0.7 OUTLIER -76.98 -41.28 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -66.41 -62.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.624 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 21.0 mtp85 -51.42 -46.92 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 4.0 t80 -59.67 -38.96 82.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -73.82 -12.83 60.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -90.97 -46.9 7.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.64 ' CG1' ' HB3' ' A' ' 76' ' ' ALA . 4.4 m -64.71 -21.53 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -94.77 -51.84 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -91.03 -60.33 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 121.27 -138.91 12.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 69' ' ' GLY . 1.2 m120 -63.39 115.94 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' ASN . 7.7 t -35.92 119.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.7 38.4 4.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.1 p -130.57 144.42 53.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.583 0.706 . . . . 0.0 111.115 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.85 63.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -53.46 127.8 50.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.536 0.684 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.546 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.8 Cg_endo -69.7 159.06 54.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.268 . . . . 0.0 112.376 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -52.4 156.26 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD1' ' O ' ' A' ' 53' ' ' PHE . 16.2 t80 -70.13 -19.1 63.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -79.39 -57.56 3.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -58.46 86.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -67.93 -56.11 10.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' PHE . 26.0 mt-10 -37.61 -47.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.95 -31.67 47.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' PHE . 18.3 ttpp -58.06 -66.6 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.741 0.305 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -44.81 -47.53 10.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 87.6 mttt -59.74 -56.87 16.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.546 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 53.1 t90 -45.24 -51.44 10.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LYS . 38.9 mt-10 -59.13 -66.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -36.73 -53.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.7 t90 -71.52 -31.28 66.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' GLU . 48.6 tptt -62.43 -48.18 80.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -45.27 -32.21 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.4 mt -83.81 50.07 1.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.495 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -52.01 -73.83 0.35 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.469 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.63 51.35 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -99.13 149.52 22.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.2 m -80.43 157.79 72.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.512 ' O ' HG12 ' A' ' 41' ' ' VAL . 53.1 Cg_endo -69.83 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 p -58.17 -45.03 88.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.837 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -59.06 -22.76 61.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.64 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . . . -87.23 -27.78 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.85 -25.64 40.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.06 -46.4 89.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.682 ' O ' HG12 ' A' ' 83' ' ' VAL . 9.1 mm-40 -78.99 -41.94 27.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 2.6 t80 -52.47 -33.71 45.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.787 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -84.92 -63.64 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.461 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.69 -56.88 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.046 HG11 HD21 ' A' ' 34' ' ' LEU . 2.3 p -44.33 -57.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.787 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.3 m -49.67 -23.79 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -77.99 -36.35 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -67.61 -28.61 67.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.513 HD21 HE22 ' A' ' 30' ' ' GLN . 3.3 mt -81.82 -43.04 18.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 16.9 t70 -131.55 96.97 19.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.3 Cg_endo -69.65 -19.44 36.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.716 2.277 . . . . 0.0 112.41 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.92 42.49 3.15 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.417 ' CH2' ' HB2' ' A' ' 15' ' ' ALA . 29.0 t90 -121.13 124.81 45.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 85.9 m-20 -135.01 90.73 20.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.632 0.729 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 92' ' ' ASN . 54.0 Cg_endo -69.7 -24.15 30.25 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.35 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -143.26 116.39 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.51 126.97 28.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -46.24 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -51.22 157.15 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -114.94 166.9 11.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -85.95 35.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -91.51 116.19 4.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.452 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -64.62 111.74 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 44.28 42.88 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -77.53 92.04 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.0 m -134.2 142.36 47.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -168.04 70.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 91.95 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.1 m 57.92 42.62 22.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.8 m -113.42 101.66 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -49.72 170.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -124.93 111.04 14.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.44 -116.52 7.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 t -114.6 172.41 7.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -121.6 132.37 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.38 130.33 13.36 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -92.93 -46.04 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.72 -43.24 72.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.087 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 4.6 pt-20 -46.57 -42.81 16.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 81' ' ' ILE . 4.3 mm? -68.5 -48.56 64.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 92.5 t80 -43.75 -39.91 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.06 -56.31 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -54.07 -56.62 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -44.6 -45.89 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.55 -46.58 57.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.3 72.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -73.89 -31.58 63.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 tt -45.42 -51.51 11.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -55.04 -27.71 46.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.33 -14.95 63.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CA ' HG22 ' A' ' 25' ' ' VAL . 19.1 mt -107.46 19.62 20.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -68.27 -35.48 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -75.77 -19.17 59.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.435 HG22 ' CA ' ' A' ' 22' ' ' LEU . 32.6 m -103.46 -18.14 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.74 126.17 34.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 30' ' ' GLN . 3.4 t -74.6 148.7 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.854 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -38.03 -35.85 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -73.68 -43.37 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.606 ' NE2' HD21 ' A' ' 87' ' ' LEU . 67.2 mt-30 -59.7 -33.15 71.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.52 -37.08 82.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.696 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.3 tp -76.67 -51.92 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.645 ' CD2' ' NH2' ' A' ' 37' ' ' ARG . 44.1 t80 -37.46 -52.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.66 ' CD2' HG11 ' A' ' 83' ' ' VAL . 54.6 mt -58.67 -36.55 74.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 39' ' ' LYS . 7.5 t80 -65.95 -53.24 41.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.494 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -40.62 -71.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.753 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 19.5 mtm-85 -58.85 -48.34 81.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.525 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 1.7 t80 -47.28 -33.06 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 15.1 mmmt -82.9 -31.03 28.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -70.62 -30.7 67.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.813 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.9 m -77.26 -22.83 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -93.16 -50.63 5.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -91.18 -70.33 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.52 -125.56 5.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -61.96 112.98 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 t -47.11 95.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -104.57 37.24 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 p -121.8 150.88 56.65 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.604 0.716 . . . . 0.0 111.121 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 151.77 69.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 2.226 . . . . 0.0 112.371 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HG3' ' CZ3' ' A' ' 62' ' ' TRP . 54.4 tttt -64.76 135.05 96.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.543 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.5 Cg_endo -69.8 150.53 68.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.233 . . . . 0.0 112.335 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.5 t -65.15 156.05 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -56.99 -48.07 79.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.477 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 6.0 m-85 -50.71 -49.5 57.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.14 75.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -64.14 -54.27 36.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -42.55 -56.7 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -68.42 -27.62 73.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 22.5 ttpt -56.13 -58.6 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.72 0.295 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -54.02 -47.41 71.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.696 ' HG2' HD11 ' A' ' 32' ' ' LEU . 27.7 mtpt -54.29 -60.43 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.543 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.7 t90 -50.19 -42.04 50.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -60.53 -66.92 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -41.38 -53.27 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -68.21 -34.19 75.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -60.86 -39.1 87.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.8 -28.08 65.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -87.88 54.72 3.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.62 -38.35 28.27 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.446 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -113.71 34.74 4.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -95.06 -179.65 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -125.67 161.18 52.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -50.84 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.725 2.283 . . . . 0.0 112.319 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -70.93 -21.81 62.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.813 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -82.15 -28.62 32.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.556 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 26.8 mtt -75.43 -36.71 60.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -53.25 -44.19 67.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.637 ' O ' HG12 ' A' ' 83' ' ' VAL . 41.0 mt-10 -81.04 -36.54 30.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 29.2 t80 -61.07 -29.07 69.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.613 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.0 mt -88.05 -65.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.172 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.634 ' HB1' ' HE3' ' A' ' 86' ' ' LYS . . . -32.62 -57.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.695 HG13 ' H ' ' A' ' 84' ' ' VAL . 1.8 p -38.53 -60.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.695 ' H ' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -49.34 -31.76 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 82' ' ' ALA . 44.5 mtpt -67.41 -33.47 75.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.634 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -71.25 -37.25 71.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.606 HD21 ' NE2' ' A' ' 30' ' ' GLN . 12.0 mt -68.03 -51.27 48.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.415 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 26.3 t70 -117.7 95.63 48.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.623 0.725 . . . . 0.0 110.866 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 53.9 Cg_endo -69.78 1.75 4.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -109.42 21.98 25.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.466 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 24.2 t90 -89.06 132.73 34.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.793 0.33 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.586 ' CA ' HD13 ' A' ' 95' ' ' ILE . 14.4 p-10 -134.23 84.76 40.8 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 53.7 Cg_endo -69.76 -46.57 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.324 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.836 ' C ' HD12 ' A' ' 95' ' ' ILE . 30.0 tt0 -134.82 72.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.836 HD12 ' C ' ' A' ' 94' ' ' GLN . 2.9 mp -133.57 122.91 17.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.601 0.715 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -29.04 24.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.48 151.74 31.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -96.17 90.82 5.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -174.98 134.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 120.15 -102.46 0.88 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -153.04 130.41 11.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 103' ' ' ALA . 12.9 tp10 -169.8 153.58 4.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 102' ' ' GLU . . . -70.88 137.21 49.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.0 p -76.02 132.63 40.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.427 ' HA2' ' HD2' ' A' ' 106' ' ' PRO . . . -155.74 102.29 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.427 ' HD2' ' HA2' ' A' ' 105' ' ' GLY . 54.4 Cg_endo -69.71 2.73 3.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' PRO . 33.7 t -35.52 136.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.0 p -148.32 170.22 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -120.25 -52.94 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.921 0.391 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.0 t -70.58 108.78 4.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.09 47.81 6.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 m -45.29 127.59 7.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.891 0.377 . . . . 0.0 110.917 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m 38.26 41.43 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.24 49.69 1.12 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 77' ' ' MET . 1.1 tm? -83.69 -51.72 7.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -52.82 -55.89 19.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.075 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' HG3' HD22 ' A' ' 11' ' ' LEU . 7.0 pt-20 -35.44 -51.02 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD22 ' HG3' ' A' ' 10' ' ' GLU . 4.0 mm? -63.06 -55.52 24.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.534 ' CD1' ' HG2' ' A' ' 77' ' ' MET . 86.2 t80 -43.95 -37.97 3.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.57 -53.97 39.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -60.62 -56.05 25.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.45 -51.39 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.59 -45.54 18.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.02 67.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.067 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.755 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.4 t60 -80.34 -33.38 37.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.453 ' HG ' ' CD1' ' A' ' 34' ' ' LEU . 1.2 tt -44.64 -45.96 9.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -62.53 -29.97 70.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' HIS . . . -88.27 -9.04 70.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.755 HD11 ' CD2' ' A' ' 18' ' ' HIS . 47.4 mt -111.97 13.91 20.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.812 0.339 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.406 HD12 HD11 ' A' ' 31' ' ' LEU . 32.1 mm -63.76 -35.32 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -70.55 -20.8 62.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.6 m -104.66 -18.53 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.25 126.12 32.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 28' ' ' ARG . 71.2 m -80.25 156.41 26.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.458 ' C ' ' O ' ' A' ' 27' ' ' SER . 25.1 mmt180 -34.07 -52.29 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -54.7 -60.4 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -39.02 -55.92 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.406 HD11 HD12 ' A' ' 23' ' ' ILE . 3.5 mm? -43.7 -39.39 3.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.7 tp -82.21 -52.04 7.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -40.43 -38.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.865 HD21 HG11 ' A' ' 83' ' ' VAL . 37.9 mt -75.65 -34.05 60.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.587 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -63.33 -44.25 95.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.525 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -55.89 -63.46 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.08 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.647 ' O ' HG13 ' A' ' 41' ' ' VAL . 65.3 mtt-85 -59.63 -50.47 73.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.551 ' O ' HG22 ' A' ' 41' ' ' VAL . 5.9 t80 -51.45 -44.36 62.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 22.8 mmmt -73.08 -19.72 61.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 40.2 tp60 -81.41 -33.75 32.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.848 HG12 ' HB3' ' A' ' 76' ' ' ALA . 2.2 m -76.76 -26.12 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -87.68 -49.94 6.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.0 t -89.65 -65.82 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.7 -116.67 3.63 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' CYS . 9.4 m120 -73.09 104.63 4.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 110.856 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' ASN . 45.1 t -38.18 112.28 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -123.91 36.46 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 p -116.95 150.81 46.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 143.56 50.95 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.688 2.259 . . . . 0.0 112.312 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 ttmt -55.87 135.96 72.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.534 0.683 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.4 Cg_endo -69.84 175.57 8.0 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -75.79 164.03 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.86 -30.85 40.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -81.08 -15.7 55.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -97.29 82.24 3.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -66.92 -56.88 8.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' PHE . 18.1 mt-10 -37.03 -45.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.39 -22.93 49.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 56' ' ' PHE . 28.9 ttpt -66.71 -60.26 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -49.75 -53.44 24.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.587 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 25.9 mtpt -51.97 -56.38 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.552 ' CZ2' ' HD3' ' A' ' 66' ' ' LYS . 90.3 t90 -53.17 -43.06 66.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' LYS . 26.0 mt-10 -58.83 -70.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -34.16 -54.93 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -68.77 -35.23 76.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HD3' ' CZ2' ' A' ' 62' ' ' TRP . 27.6 tptt -57.93 -44.21 86.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.85 -21.86 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.458 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 22.6 mt -91.69 50.44 1.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -73.34 -38.58 53.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -112.35 31.15 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.836 0.351 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 m -86.41 -179.54 6.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.828 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -125.45 155.92 71.14 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.726 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -49.83 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -34.42 77.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.852 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -76.73 -16.33 59.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.848 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -89.57 -22.81 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.543 ' HB2' HD11 ' A' ' 8' ' ' LEU . 16.8 mtt -78.47 -42.4 29.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -49.59 -54.3 19.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HB2' ' CD ' ' A' ' 37' ' ' ARG . 78.5 mm-40 -67.42 -43.08 82.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 6.7 t80 -55.21 -34.28 63.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.688 ' O ' HG22 ' A' ' 84' ' ' VAL . 10.2 mt -82.83 -62.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.081 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' O ' ' CE ' ' A' ' 86' ' ' LYS . . . -32.72 -54.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.865 HG11 HD21 ' A' ' 34' ' ' LEU . 2.8 p -46.68 -56.67 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.1 m -49.93 -26.7 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -79.8 -33.11 40.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.477 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -66.66 -26.31 66.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -88.18 -44.63 10.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.655 ' HB2' HD22 ' A' ' 22' ' ' LEU . 11.3 t0 -128.17 88.58 52.44 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.75 14.66 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.345 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -99.72 33.8 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.527 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . 0.509 ' CZ2' ' HB3' ' A' ' 93' ' ' PRO . 8.2 t90 -104.28 112.38 25.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.321 . . . . 0.0 110.921 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -108.62 88.85 5.56 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.602 0.715 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 91' ' ' TRP . 53.4 Cg_endo -69.78 -11.75 31.44 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.658 2.238 . . . . 0.0 112.345 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -132.33 90.59 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.5 mm -88.8 125.7 61.91 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -29.51 23.65 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.481 ' HG2' ' N ' ' A' ' 98' ' ' LYS . 26.3 tt0 -53.97 152.19 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.481 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 5.0 mmtp -141.3 162.57 35.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -55.53 128.73 35.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.06 -57.77 2.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -66.59 110.65 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -106.52 109.32 21.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.39 94.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 t 73.38 35.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -116.89 96.03 0.69 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.513 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.01 15.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.719 2.28 . . . . 0.0 112.369 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.5 p -60.97 158.42 13.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 t -54.33 149.52 9.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 3' ' ' SER . 16.0 m -146.55 131.24 17.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 2' ' ' SER . 30.3 t -36.99 -54.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.96 98.04 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -62.25 115.02 3.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.873 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -78.37 160.24 27.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.86 73.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 8' ' ' LEU . 1.2 tm? -87.68 -66.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -36.35 -58.19 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.595 ' HG3' HD22 ' A' ' 11' ' ' LEU . 9.9 pt-20 -35.71 -47.57 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.595 HD22 ' HG3' ' A' ' 10' ' ' GLU . 3.4 mm? -65.97 -52.53 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.647 ' CZ ' ' CD2' ' A' ' 38' ' ' TYR . 72.7 t80 -39.51 -37.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -71.89 -56.79 5.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -53.05 -54.4 35.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.67 -46.99 20.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.49 -48.09 19.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.7 -29.58 70.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.443 ' CD2' HD11 ' A' ' 22' ' ' LEU . 2.7 t60 -74.7 -30.41 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tt -46.49 -52.26 13.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -57.89 -23.56 53.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.49 -10.81 63.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.443 HD11 ' CD2' ' A' ' 18' ' ' HIS . 37.6 mt -112.43 19.02 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.58 -33.72 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -73.02 -17.44 61.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.9 m -109.76 -15.27 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HB1' HD22 ' A' ' 31' ' ' LEU . . . -88.26 132.09 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.059 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.403 ' O ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -82.98 151.14 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.91 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 29' ' ' GLU . 10.6 ptt180 -40.07 -35.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 2.2 mm-40 -75.72 -45.5 36.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -56.75 -36.27 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.432 HD22 ' HB1' ' A' ' 26' ' ' ALA . 4.2 mm? -60.7 -42.43 97.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 ' HG2' ' A' ' 61' ' ' LYS . 2.0 tp -73.04 -43.8 61.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -45.63 -37.96 6.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.973 HD21 HG11 ' A' ' 83' ' ' VAL . 24.1 mt -80.83 -28.38 36.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.59 ' CE2' ' HE2' ' A' ' 61' ' ' LYS . 1.8 t80 -66.97 -51.27 57.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.421 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -53.52 -64.58 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.075 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.603 ' HB3' ' HB1' ' A' ' 76' ' ' ALA . 37.3 mtt-85 -53.44 -49.17 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.647 ' CD2' ' CZ ' ' A' ' 12' ' ' PHE . 8.6 t80 -58.84 -33.41 70.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 17.8 mmmt -79.45 -13.3 59.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 68' ' ' LEU . 3.3 tp-100 -94.77 -23.48 17.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 37' ' ' ARG . 4.9 m -88.65 -28.03 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 38' ' ' TYR . 3.7 mmpt? -86.68 -53.37 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.7 t -87.83 -66.6 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.2 -143.5 15.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -49.51 112.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.785 0.326 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 t -46.35 125.58 6.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -127.04 -37.7 2.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.1 p -40.83 154.55 0.21 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 147.0 61.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.308 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -66.7 134.83 94.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.3 Cg_endo -69.76 152.7 69.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.334 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.4 t -70.65 158.7 35.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -57.51 -45.88 84.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 5.4 m-85 -54.63 -46.66 73.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.76 75.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.472 ' CE1' ' O ' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -63.64 -59.14 4.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -37.52 -57.82 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -67.28 -28.52 73.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' A' ' 51' ' ' PRO . 26.6 ttpp -56.18 -56.23 23.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.755 0.312 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.412 ' OE1' HD13 ' A' ' 32' ' ' LEU . 4.6 pt20 -56.63 -45.67 81.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.59 ' HE2' ' CE2' ' A' ' 35' ' ' TYR . 28.4 mtpt -56.64 -60.41 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.48 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 87.3 t90 -54.51 -48.89 71.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' LYS . 11.7 mt-10 -54.08 -71.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' GLU . . . -34.19 -51.83 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.06 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -65.63 -40.1 92.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' GLU . 47.9 tptt -56.27 -46.51 79.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -48.21 -31.52 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.496 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 30.7 mt -86.53 55.57 3.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -46.89 -78.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -109.65 54.27 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -92.51 124.92 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -52.32 150.99 7.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.657 0.741 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.538 ' HA ' HG12 ' A' ' 41' ' ' VAL . 52.9 Cg_endo -69.78 -51.25 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.715 2.276 . . . . 0.0 112.299 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 p -56.81 -40.95 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -65.89 -19.61 65.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.603 ' HB1' ' HB3' ' A' ' 37' ' ' ARG . . . -95.17 -19.67 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.523 ' HG2' ' CD1' ' A' ' 12' ' ' PHE . 11.1 mtm -87.68 -38.41 15.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -54.4 -48.68 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' O ' HG12 ' A' ' 83' ' ' VAL . 43.7 mt-10 -76.03 -43.2 45.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 1.3 t80 -52.03 -31.07 28.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.803 ' O ' HG22 ' A' ' 84' ' ' VAL . 8.1 mt -84.92 -62.31 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.468 ' C ' ' O ' ' A' ' 81' ' ' ILE . . . -32.75 -55.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.973 HG11 HD21 ' A' ' 34' ' ' LEU . 2.5 p -44.07 -57.52 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.803 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.5 m -49.74 -25.14 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -81.13 -35.94 30.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.486 ' HE2' ' N ' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -63.13 -26.4 68.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 84' ' ' VAL . 0.6 OUTLIER -86.49 -47.66 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.419 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 30.4 t70 -123.88 93.15 47.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.0 Cg_endo -69.74 -10.21 28.02 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.649 2.233 . . . . 0.0 112.374 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.94 51.05 0.98 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -117.94 122.17 42.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 0.0 110.912 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.14 115.98 34.21 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.894 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -41.29 4.46 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.72 2.28 . . . . 0.0 112.331 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -95.83 97.69 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.9 mm -95.39 123.25 57.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.625 0.726 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -64.9 171.44 3.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? 51.15 54.95 10.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.42 -43.61 4.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 167.23 179.98 40.5 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.45 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -127.62 164.99 20.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -82.89 -62.01 1.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -145.62 171.41 14.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.9 t -90.53 101.88 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.56 -176.25 52.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 164.09 35.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.382 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.7 t -49.78 -46.1 50.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.0 t -168.52 114.09 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -172.71 165.25 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.886 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.1 p -82.45 161.57 22.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.26 172.28 28.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 t -122.89 157.04 33.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.354 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -83.33 -22.37 32.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.638 ' O ' HD23 ' A' ' 11' ' ' LEU . . . -175.57 117.97 0.64 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.591 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -92.97 -40.97 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.924 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 12' ' ' PHE . . . -58.93 -62.33 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.79 ' HG3' HD22 ' A' ' 11' ' ' LEU . 13.7 pt-20 -36.59 -39.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.79 HD22 ' HG3' ' A' ' 10' ' ' GLU . 2.8 mm? -69.3 -47.3 64.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' A' ' 41' ' ' VAL . 44.9 t80 -48.2 -36.26 13.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -69.67 -48.52 59.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -61.64 -53.67 53.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.88 -48.01 42.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.37 -48.15 18.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.63 -30.58 71.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -74.78 -30.34 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.02 -52.56 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -55.94 -25.67 44.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.05 -11.58 67.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.492 HD22 ' HB2' ' A' ' 88' ' ' ASP . 33.5 mt -111.19 17.76 20.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.2 mm -65.61 -39.78 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -68.5 -18.41 64.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.5 m -106.03 -16.57 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 128.88 36.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 29' ' ' GLU . 1.1 t -80.91 146.88 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.46 ' HG2' ' N ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -36.16 -30.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 27' ' ' SER . 2.2 mm-40 -75.18 -49.74 18.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 27' ' ' SER . 16.9 mm-40 -51.71 -48.21 63.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.7 -54.13 10.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' TYR . 2.3 tp -59.51 -47.71 84.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.418 ' CE1' ' NH1' ' A' ' 37' ' ' ARG . 59.0 t80 -43.55 -42.79 5.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.827 HD21 HG11 ' A' ' 83' ' ' VAL . 23.5 mt -77.91 -26.04 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.527 ' CE1' ' HB3' ' A' ' 61' ' ' LYS . 5.8 t80 -65.42 -52.75 51.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . . . -53.4 -65.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.071 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.806 ' O ' HG13 ' A' ' 41' ' ' VAL . 37.8 mtt85 -54.35 -40.7 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.487 ' C ' ' CD1' ' A' ' 38' ' ' TYR . 3.1 t80 -63.37 -35.22 79.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 14.9 mmmt -77.31 -19.97 55.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -84.11 -30.3 26.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 37' ' ' ARG . 2.8 m -80.89 -26.33 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -92.13 -47.32 7.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.8 t -96.46 -66.58 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.62 -151.17 16.97 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 69' ' ' GLY . 2.1 m-20 -49.86 114.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.344 . . . . 0.0 110.893 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 45' ' ' ASN . 14.9 t -35.93 124.79 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -126.53 36.26 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.0 p -127.55 143.75 48.53 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.74 55.25 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.366 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HG3' ' HD2' ' A' ' 51' ' ' PRO . 15.0 tttp -45.2 128.52 5.77 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD3' ' CG ' ' A' ' 62' ' ' TRP . 53.9 Cg_endo -69.76 172.0 13.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.732 2.288 . . . . 0.0 112.314 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 t -73.79 135.95 43.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -47.16 -38.45 11.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -63.39 -48.35 78.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -64.29 82.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.43 -49.34 64.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -47.12 -44.08 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.78 -22.84 54.8 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.539 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -63.63 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -45.85 -56.1 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 35' ' ' TYR . 66.8 mttt -51.74 -64.91 0.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.545 ' CG ' ' HD3' ' A' ' 51' ' ' PRO . 63.5 t90 -39.18 -48.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 66' ' ' LYS . 28.9 mt-10 -62.53 -65.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HB1' ' HB2' ' A' ' 36' ' ' ALA . . . -39.58 -52.23 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.5 t90 -72.73 -28.73 62.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HD3' ' CH2' ' A' ' 62' ' ' TRP . 17.5 tptm -65.26 -48.48 73.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -50.79 -22.94 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.077 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.24 52.7 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.502 ' O ' ' ND2' ' A' ' 45' ' ' ASN . . . -76.05 -38.42 35.28 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.4 32.45 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 m -92.04 -177.86 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -128.7 160.01 65.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.74 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.383 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.4 -32.44 73.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -75.51 -19.23 59.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.715 ' HB3' HG12 ' A' ' 41' ' ' VAL . . . -89.34 -23.82 22.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.41 ' HG2' ' CG ' ' A' ' 12' ' ' PHE . 26.3 mtt -78.57 -27.46 45.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.85 -46.14 89.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.727 ' O ' HG12 ' A' ' 83' ' ' VAL . 70.8 mm-40 -78.66 -36.77 43.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 34' ' ' LEU . 5.2 t80 -62.38 -26.86 68.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.756 ' O ' HG22 ' A' ' 84' ' ' VAL . 5.8 mt -90.73 -66.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.073 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' N ' HG22 ' A' ' 81' ' ' ILE . . . -32.79 -56.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.097 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.827 HG11 HD21 ' A' ' 34' ' ' LEU . 2.5 p -43.99 -57.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 81' ' ' ILE . 1.2 m -50.41 -24.45 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' CD ' ' HA ' ' A' ' 82' ' ' ALA . 20.4 mtpp -76.08 -34.5 59.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.4 ' HE3' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -69.57 -32.15 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.89 -38.38 57.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.492 ' HB2' HD22 ' A' ' 22' ' ' LEU . 16.0 t70 -134.32 93.47 19.19 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.586 0.708 . . . . 0.0 110.835 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 88' ' ' ASP . 54.0 Cg_endo -69.77 0.86 5.04 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -107.27 41.86 2.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -115.7 135.66 53.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.744 0.306 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -140.59 119.92 8.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -20.45 34.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 0.0 112.305 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -99.35 81.74 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.6 mm -109.67 129.48 23.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.593 0.711 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -41.0 4.67 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.26 . . . . 0.0 112.337 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -47.67 162.62 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -92.97 116.48 29.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 23.9 mmmt -142.54 157.46 44.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.917 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 114.61 153.11 10.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -66.65 -30.3 70.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.752 0.311 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -129.79 143.24 50.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.94 -62.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.1 p -134.9 163.91 28.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -79.88 133.26 12.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 107' ' ' SER . 53.7 Cg_endo -69.73 -21.97 32.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 106' ' ' PRO . 1.3 t -34.75 -53.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.3 t -66.24 146.83 54.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 -179.983 . . . . . . . . 0 0 . 1 stop_ save_