data_2ep4_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 2ep4 _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 ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -42.5 164.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.74 -36.59 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.77 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.8 p -89.15 -27.97 20.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.6 mt 66.88 54.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -133.67 133.34 41.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -41.43 122.71 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -57.6 140.45 50.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -122.09 146.8 47.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -36.39 11.12 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.397 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -49.4 -40.37 35.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -95.02 142.54 27.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.76 148.26 51.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.9 mt -120.14 126.48 50.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.91 121.3 7.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.443 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 94' ' ' CYS . 5.3 mp -89.67 135.81 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.32 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.409 ' N ' HG21 ' A' ' 93' ' ' ILE . 1.6 m -101.39 162.12 21.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.51 2.76 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.7 p -112.94 31.38 6.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt 49.83 42.84 24.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.574 ' CD2' HD12 ' A' ' 117' ' ' LEU . 32.8 m170 -137.19 121.64 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.5 144.09 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 98' ' ' HIS . 41.6 m-85 -144.68 167.8 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -67.8 130.43 42.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' A' ' 106' ' ' ILE . 1.0 OUTLIER -42.79 -34.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -80.68 -52.79 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 69.7 m -50.77 -48.81 59.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.8 tp -60.9 -66.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 102' ' ' ARG . 59.7 mt -39.14 -49.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -65.64 -62.79 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.439 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 62.9 t-105 -46.29 -29.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.79 -35.18 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.88 -53.19 54.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.7 m -75.12 -33.24 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -147.97 107.29 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -75.9 48.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.439 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 20.3 m -143.68 166.7 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 20.9 t -82.71 126.37 73.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.43 2.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 98' ' ' HIS . 12.6 mt -110.87 -71.16 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.3 p -79.6 -29.19 41.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 73.06 43.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.436 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 3.1 ttt -105.54 141.24 22.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.9 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 52.6 t -44.16 124.73 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.66 20.57 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t -111.3 -41.69 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.7 p -117.37 -9.92 10.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.7 mt 61.25 49.33 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -138.29 125.54 21.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.8 142.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 36.1 m-85 -74.34 144.73 44.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -132.11 149.81 74.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.56 0.695 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -39.18 6.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.8 mtp180 -47.17 -39.76 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -99.74 128.21 45.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.26 139.29 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.8 mt -119.72 117.71 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.5 106.01 3.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 98.2 mt -83.79 138.84 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.2 m -99.35 158.02 32.97 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.589 0.709 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 6.09 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.3 p -111.7 28.67 8.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp 55.9 43.7 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.57 ' CD2' HD11 ' A' ' 117' ' ' LEU . 21.0 m170 -141.52 124.08 15.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.42 150.01 26.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 89.6 m-85 -150.99 163.78 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 102' ' ' ARG . 43.2 m80 -73.87 128.57 35.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 101' ' ' HIS . 22.0 mmt85 -36.75 -45.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -70.63 -54.85 10.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.5 m -47.07 -52.18 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.49 -60.79 3.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 67.8 mt -44.71 -43.27 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -67.2 -54.52 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' LEU . 67.9 t-105 -53.79 -58.22 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' TRP . 56.2 mt -34.97 -54.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -40.43 -57.42 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.94 -48.49 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -149.62 128.17 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -76.7 47.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.6 m -139.4 176.11 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.3 t -89.08 128.38 51.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 4.62 2.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 98' ' ' HIS . 14.3 mt -113.86 -71.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.5 p -79.57 -29.31 41.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 71.11 47.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.4 mmm -115.89 150.17 44.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.559 0.695 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.393 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 50.5 t -72.81 109.08 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.72 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.85 -54.2 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 82' ' ' LEU . 30.8 p -113.44 22.67 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 78' ' ' CYS . 6.8 mt 32.39 55.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -147.91 135.82 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.01 168.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 38.1 m-85 -97.88 147.76 24.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -118.53 148.08 43.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.573 0.701 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -37.58 8.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -48.59 -39.57 24.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.48 145.52 28.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -69.85 134.45 48.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 85' ' ' PHE . 20.3 mt -115.98 127.83 55.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.32 108.73 3.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.08 115.52 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.751 0.31 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.0 m -72.54 158.0 88.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.623 0.725 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.316 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.9 p -107.61 33.59 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 51.36 41.1 27.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.513 ' CG ' HD11 ' A' ' 117' ' ' LEU . 29.5 m170 -139.5 128.11 23.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.47 147.1 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 85.8 m-85 -150.77 152.49 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -59.7 127.42 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -38.68 -36.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -79.23 -56.45 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -48.49 -36.67 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.3 tp -72.69 -62.41 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 53.7 mt -49.94 -36.72 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -76.69 -46.32 26.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.477 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 51.7 t-105 -58.83 -38.43 78.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.14 -24.96 65.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.74 -61.05 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.7 -32.3 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -151.26 110.02 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -76.14 47.79 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.477 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 33.9 m -136.74 176.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 38.1 t -91.26 126.4 54.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 6.43 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 98' ' ' HIS . 17.1 mt -113.31 -68.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 12.6 p -83.55 -21.09 32.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 62.61 39.77 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.1 mmt -108.38 145.49 31.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.7 t -50.61 153.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.02 -27.48 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.53 -54.1 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 p -104.94 8.29 34.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt 42.55 54.93 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -140.23 160.72 39.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -70.38 151.58 45.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.413 ' HB3' ' CD2' ' A' ' 91' ' ' LEU . 65.3 m-85 -81.38 150.53 28.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -135.68 150.34 71.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -38.68 7.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -49.31 -35.89 19.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -106.55 114.12 28.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -42.79 120.17 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 85' ' ' PHE . 25.9 mt -94.99 108.37 20.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.39 119.92 5.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.407 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 16.0 mm -95.38 113.83 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.79 0.328 . . . . 0.0 111.161 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -72.54 160.13 83.59 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.6 0.715 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.45 2.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.25 . . . . 0.0 112.399 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.1 p -106.33 29.21 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt 54.39 41.61 31.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.504 ' CD2' HD12 ' A' ' 117' ' ' LEU . 5.1 m80 -132.93 143.4 49.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.407 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . . . -107.75 141.64 38.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 84.9 m-85 -150.46 157.07 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -73.41 127.97 34.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -38.58 -37.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -77.14 -51.94 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.9 m -50.74 -58.45 5.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.0 tp -49.51 -57.74 6.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 81.5 mt -45.81 -48.32 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -63.99 -55.12 24.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 77.2 t-105 -53.29 -33.26 52.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 76.6 mt -67.99 -37.52 81.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -55.51 -47.46 76.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 112' ' ' ARG . 11.1 p -83.07 -51.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.445 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 65.5 mtt180 -128.67 122.2 30.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -82.81 45.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.529 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 29.3 m -141.37 171.52 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.447 ' C ' ' H ' ' A' ' 117' ' ' LEU . 42.2 t -82.37 127.36 71.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.525 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.3 Cg_endo -69.72 10.56 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 98' ' ' HIS . 14.1 mt -120.56 -67.75 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.6 p -85.89 -9.85 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 2.8 m120 54.65 41.74 31.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.417 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 12.6 ttp -100.65 138.63 20.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.805 0.336 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 31.3 t -55.06 163.76 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.87 -38.99 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.55 -62.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.19 -24.94 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.0 mt 63.25 54.59 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' ASP . 17.7 mt-10 -132.86 133.56 43.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.1 p-10 -36.88 130.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 78' ' ' CYS . 22.6 m-85 -78.77 147.57 33.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -137.03 143.2 41.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.718 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -38.34 7.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.98 -39.89 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.14 141.05 29.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.59 136.41 57.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.6 mt -131.99 152.51 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.22 118.39 3.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.44 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.19 140.67 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.6 156.95 35.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 5.11 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.5 p -114.02 31.53 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.3 41.23 32.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.524 ' CG ' HD11 ' A' ' 117' ' ' LEU . 38.1 m170 -136.6 122.61 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.15 147.34 26.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 87.8 m-85 -146.28 167.95 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' ARG . 21.3 m80 -74.69 125.64 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' HIS . 26.0 mmm-85 -37.03 -42.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 104' ' ' CYS . 3.0 tppt? -74.57 -65.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' LYS . 89.0 m -36.98 -54.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 tp -51.32 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 76.2 mt -38.38 -55.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -54.29 -49.59 69.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 109' ' ' LEU . 55.3 t-105 -62.58 -64.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 108' ' ' TRP . 21.7 mt -30.76 -44.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -50.83 -65.28 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.471 HG21 ' N ' ' A' ' 112' ' ' ARG . 27.3 m -59.4 -32.52 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.471 ' N ' HG21 ' A' ' 111' ' ' VAL . 58.7 mtt180 -157.11 115.11 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -75.64 48.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.0 m -137.96 161.91 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 31.6 t -74.39 125.72 89.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.519 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.9 Cg_endo -69.74 5.71 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.524 HD11 ' CG ' ' A' ' 98' ' ' HIS . 12.6 mt -111.39 -70.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.6 p -79.43 -18.68 51.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 68.69 50.55 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.3 mmt -133.2 137.87 30.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.713 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.4 t -55.2 164.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.28 -19.17 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.3 t -86.13 -59.66 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.9 p -90.58 -17.14 27.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt 59.43 52.36 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' ASP . 69.4 mt-10 -133.72 133.49 41.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.8 m-20 -35.67 141.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.621 ' CD1' ' CD2' ' A' ' 91' ' ' LEU . 8.4 m-85 -75.29 154.07 37.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -131.95 141.24 40.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -40.57 5.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -50.31 -37.41 36.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.52 148.9 21.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.42 124.87 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.621 ' CD2' ' CD1' ' A' ' 85' ' ' PHE . 3.2 mp -100.66 115.37 30.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.57 104.49 0.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.5 mt -83.86 99.07 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 33.4 m -64.79 157.8 72.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.732 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 4.29 2.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.4 p -104.91 21.85 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.6 mmpt? 62.2 48.93 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 100' ' ' PHE . 33.9 m170 -148.62 125.43 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.8 146.76 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 98' ' ' HIS . 44.1 m-85 -147.87 155.23 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 102' ' ' ARG . 32.0 m80 -58.08 121.97 11.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' HIS . 8.0 mmt180 -38.39 -34.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -78.55 -59.85 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.2 m -44.09 -62.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 106' ' ' ILE . 14.4 tp -40.58 -63.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 72.7 mt -37.16 -53.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -57.44 -52.5 65.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.44 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 76.4 t-105 -57.7 -33.46 68.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.3 mt -75.01 -39.56 61.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -49.38 -34.07 15.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 112' ' ' ARG . 12.6 p -103.08 -49.15 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.42 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 73.9 mtt180 -128.54 112.63 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -78.22 46.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.5 m -132.24 176.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.5 t -93.24 124.82 56.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.44 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.3 Cg_endo -69.77 6.1 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 98' ' ' HIS . 17.0 mt -113.15 -69.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.1 p -80.87 -20.93 41.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 48.0 t30 60.92 52.47 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 17.3 ptm -120.93 143.9 37.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.663 2.242 . . . . 0.0 112.409 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.72 166.32 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.27 -40.51 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.89 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 13.4 p -107.21 -21.78 12.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.9 mt 61.81 53.75 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -136.59 136.95 39.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.38 147.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.819 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CD1' HD21 ' A' ' 91' ' ' LEU . 45.3 m-85 -87.73 95.15 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -76.65 156.86 82.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.37 2.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -48.29 -38.78 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -91.03 133.88 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.94 142.17 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 85' ' ' PHE . 12.7 mt -117.25 115.22 24.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.73 108.1 3.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 70.7 mt -84.11 109.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.4 m -68.15 160.53 74.41 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 4.19 2.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.284 . . . . 0.0 112.348 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.4 p -107.18 35.69 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 48.43 44.9 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 9.9 m80 -140.55 143.18 35.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.16 142.08 45.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 96.5 m-85 -149.16 149.52 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -61.25 134.69 57.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -40.41 -47.5 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 104' ' ' CYS . 17.3 mmmt -71.44 -64.26 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 103' ' ' LYS . 85.3 m -37.19 -44.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.76 -63.89 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.3 mt -43.53 -47.21 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -67.17 -56.76 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.467 ' CZ2' ' HB3' ' A' ' 116' ' ' PRO . 53.4 t-105 -49.49 -36.32 22.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.4 -37.24 74.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -53.37 -60.38 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.2 p -71.69 -49.75 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.471 ' N ' HG13 ' A' ' 111' ' ' VAL . 3.4 ttm180 -127.12 114.75 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.21 46.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 112' ' ' ARG . 5.4 m -148.96 168.84 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.1 t -76.95 125.61 86.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.467 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 53.5 Cg_endo -69.77 5.95 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.442 ' CD1' ' CD2' ' A' ' 98' ' ' HIS . 13.6 mt -112.79 -69.17 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.7 p -83.03 -27.74 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 74.59 38.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.3 ttt -103.15 136.86 19.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.517 0.675 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.34 0.131 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.78 0.324 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 41.9 t -60.56 110.46 1.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.39 -22.84 63.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.44 -46.3 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.94 -1.59 12.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 78' ' ' CYS . 7.9 mp 56.63 54.17 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -138.33 165.89 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.33 162.26 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 37.6 m-85 -96.38 125.45 40.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -116.73 146.24 37.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -39.43 6.67 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.733 2.288 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -48.6 -37.36 17.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -100.2 116.51 32.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.51 141.95 4.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 101' ' ' HIS . 86.8 mt -132.04 132.24 43.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.3 118.76 5.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.8 mp -88.62 136.33 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 m -101.39 160.17 27.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.21 2.91 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.631 2.221 . . . . 0.0 112.332 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.79 25.76 11.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 0.0 OUTLIER 56.38 49.77 14.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.539 ' CD2' HD11 ' A' ' 117' ' ' LEU . 35.7 m170 -149.01 122.92 9.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.09 148.38 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 98' ' ' HIS . 21.1 m-85 -147.33 140.16 24.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.411 ' HA ' ' CD2' ' A' ' 91' ' ' LEU . 44.8 m80 -40.06 125.96 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -39.78 -38.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 19.3 ptmt -74.78 -50.26 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 57.7 m -52.79 -53.88 42.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ILE . 14.7 tp -53.45 -64.95 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 105' ' ' LEU . 57.2 mt -37.68 -52.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -60.8 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.572 ' CE2' ' CB ' ' A' ' 112' ' ' ARG . 63.3 t-105 -47.67 -31.05 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.05 -38.99 79.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -44.57 -50.89 9.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 112' ' ' ARG . 33.8 m -104.9 -52.32 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.572 ' CB ' ' CE2' ' A' ' 108' ' ' TRP . 21.2 mmt180 -90.33 94.86 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -81.7 39.87 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.1 m -149.0 175.47 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 117' ' ' LEU . 4.7 t -82.04 124.36 78.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 8.66 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.539 HD11 ' CD2' ' A' ' 98' ' ' HIS . 13.3 mt -118.28 -66.64 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.7 p -85.19 -13.65 49.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 45.5 t30 60.03 47.6 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 21.3 mmt -113.57 154.11 45.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.691 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.477 HD11 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.874 0.369 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 85' ' ' PHE . 22.6 t -43.93 164.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.77 -34.86 6.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.7 t -71.26 -62.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.5 p -87.33 -23.44 24.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.9 mt 65.35 53.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -135.04 143.94 47.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -50.17 115.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 78' ' ' CYS . 44.8 m-85 -51.42 164.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -137.68 142.64 37.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.529 0.68 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -37.17 9.64 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -46.23 -39.65 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -81.58 160.76 23.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' LEU . 20.4 mt-10 -87.5 62.13 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' GLU . 34.5 mt -37.51 109.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.78 115.43 4.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 94' ' ' CYS . 5.2 mp -85.43 136.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.436 ' N ' HG22 ' A' ' 93' ' ' ILE . 77.0 m -97.27 156.15 36.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.711 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 4.48 2.17 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 20.2 p -111.85 25.41 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mttt 59.41 38.4 22.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.522 ' CG ' HD13 ' A' ' 117' ' ' LEU . 44.7 m170 -134.85 127.85 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.22 150.55 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 66.6 m-85 -150.7 163.62 38.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -68.3 132.22 46.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -37.96 -42.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 104' ' ' CYS . 26.6 tptt -78.3 -66.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' LYS . 88.0 m -33.58 -58.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -47.49 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.6 mt -41.57 -55.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -50.49 -47.66 57.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 71.7 t-105 -62.89 -46.0 89.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 27.3 mt -52.37 -36.94 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.78 -61.46 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 112' ' ' ARG . 30.1 m -62.52 -43.71 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.468 ' N ' HG23 ' A' ' 111' ' ' VAL . 11.4 ttm180 -143.72 124.04 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.4 ' C ' HG11 ' A' ' 114' ' ' VAL . 7.4 ptmm? -79.23 45.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.458 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 5.1 m -138.82 168.68 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.41 ' C ' ' H ' ' A' ' 117' ' ' LEU . 28.7 t -82.57 125.85 75.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.565 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.1 Cg_endo -69.85 7.27 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.522 HD13 ' CG ' ' A' ' 98' ' ' HIS . 16.0 mt -112.9 -66.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.0 p -85.16 -15.23 44.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 60.34 42.99 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.7 ttt -112.08 133.34 21.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.757 2.305 . . . . 0.0 112.333 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.417 ' CD2' ' H ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.81 0.338 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 85' ' ' PHE . 19.5 t -44.93 165.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.68 -26.44 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.3 t -84.61 -59.37 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.0 p -89.02 -24.31 22.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.7 mt 63.34 52.84 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 84' ' ' ASP . 14.4 mt-10 -133.21 135.56 45.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 83' ' ' GLU . 32.0 m-20 -38.13 127.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 78' ' ' CYS . 13.6 m-85 -72.21 146.24 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -134.12 144.87 53.25 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -37.48 9.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -47.82 -39.21 17.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.46 131.17 37.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -58.13 123.98 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.44 159.98 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.62 107.25 0.86 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.1 mt -84.95 121.34 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.788 0.327 . . . . 0.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.35 161.51 54.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.57 3.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.338 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.2 p -103.26 26.89 7.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.31 42.42 31.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 23.0 m170 -140.32 128.3 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.32 144.22 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 54.3 m-85 -147.76 141.28 25.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 103' ' ' LYS . 44.7 m80 -49.91 123.44 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -37.09 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' HIS . 52.4 mtmt -82.85 -55.05 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 67.5 m -47.75 -51.41 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.8 tp -55.15 -59.8 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.4 mt -48.44 -48.39 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -60.12 -55.17 37.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -53.12 -49.46 66.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -40.95 -54.77 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -38.77 -43.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.79 -66.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -118.6 139.23 51.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -92.27 39.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.3 m -142.67 167.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.449 ' C ' ' H ' ' A' ' 117' ' ' LEU . 50.2 t -74.15 128.45 86.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 11.32 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.349 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.472 HD12 ' CG ' ' A' ' 98' ' ' HIS . 39.2 mt -121.82 -62.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.2 -14.12 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 60.59 41.3 15.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.2 136.28 21.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 84' ' ' ASP . 12.3 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.886 0.374 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 17.2 t -43.89 165.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.23 -35.33 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.6 t -68.29 -45.68 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 19.0 p -107.29 -18.37 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 mt 55.57 52.3 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' ASP . 15.8 mt-10 -131.32 127.83 38.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.429 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 3.2 m-20 -36.61 123.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -53.66 137.91 36.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -123.57 144.96 45.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -30.46 22.22 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -52.12 -40.02 60.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.48 159.11 15.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -85.41 94.8 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.1 103.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.95 113.76 3.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.3 mm -85.07 135.22 25.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.59 162.27 28.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.8 2.54 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.396 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 p -108.47 27.44 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt 58.58 29.78 18.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 117' ' ' LEU . 12.2 m170 -114.07 159.94 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.1 136.26 54.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 93.5 m-85 -148.88 150.02 32.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 102' ' ' ARG . 37.9 m80 -72.11 134.93 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 101' ' ' HIS . 10.5 mtp180 -36.1 -55.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' CYS . 6.0 tptp -64.25 -63.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' LYS . 58.8 m -36.38 -47.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 106' ' ' ILE . 13.4 tp -68.41 -69.48 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' LEU . 91.4 mt -36.71 -49.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -65.12 -58.21 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.401 ' CZ2' ' HB3' ' A' ' 116' ' ' PRO . 58.4 t-105 -46.84 -55.85 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.7 mt -39.7 -46.58 1.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -48.32 -56.12 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.36 -58.52 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -126.64 122.02 33.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -79.35 46.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.2 m -143.65 174.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.434 ' C ' ' H ' ' A' ' 117' ' ' LEU . 3.7 t -87.46 124.77 67.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.731 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.401 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 53.5 Cg_endo -69.75 9.69 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 98' ' ' HIS . 12.1 mt -124.0 -51.79 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.72 15.09 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 11.2 t-20 38.61 41.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.441 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 14.6 ttt -91.98 139.73 24.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 82' ' ' LEU . 52.4 t -58.45 112.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.29 75.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.17 -52.25 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 82' ' ' LEU . 28.9 p -116.35 19.46 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 78' ' ' CYS . 7.2 mt 36.91 55.02 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.418 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . 21.6 mt-10 -140.74 138.77 34.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.85 171.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 62.3 m-85 -102.74 134.02 46.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -125.17 153.27 71.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.65 27.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -56.88 -31.37 64.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' GLU . 2.4 m-20 -116.56 110.54 18.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' ASP . 3.2 tp10 -35.91 141.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.47 121.09 38.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.93 109.82 3.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.1 mt -88.25 120.28 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -80.03 162.4 62.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.28 . . . . 0.0 112.316 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.0 p -104.61 33.07 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt 52.98 38.93 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.587 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 9.0 m170 -132.82 158.84 41.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.88 143.06 38.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 47.8 m-85 -150.05 163.19 38.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -67.27 133.59 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -39.74 -46.37 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 104' ' ' CYS . 30.9 mmtt -71.72 -67.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 103' ' ' LYS . 96.1 m -33.91 -48.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.96 -65.31 0.7 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.8 mt -39.99 -58.9 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -54.28 -51.44 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 72.0 t-105 -51.72 -39.29 58.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.15 -39.81 90.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -43.96 -47.85 8.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.454 ' CG2' ' N ' ' A' ' 112' ' ' ARG . 34.9 m -94.84 -52.5 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.454 ' N ' ' CG2' ' A' ' 111' ' ' VAL . 20.2 mtt180 -115.29 104.08 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -76.85 45.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.473 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 33.2 m -141.05 175.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.41 ' C ' ' H ' ' A' ' 117' ' ' LEU . 9.0 t -87.05 126.37 63.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.607 0.718 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 7.35 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.587 ' CD1' ' CD2' ' A' ' 98' ' ' HIS . 16.8 mt -117.46 -69.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.8 p -81.22 -22.04 39.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 62.3 47.91 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 74.8 mtp -117.09 146.68 38.6 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.6 0.715 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.746 2.297 . . . . 0.0 112.324 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' LEU . 45.5 t -59.38 111.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -13.72 35.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.52 -60.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.4 p -101.35 14.8 30.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' CYS . 8.3 mt 37.12 54.5 1.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -140.69 140.88 35.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -46.97 169.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -102.51 106.8 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -87.7 149.2 45.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -30.66 21.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -54.95 -36.76 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.83 139.39 34.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -53.73 -177.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.6 mt -149.92 115.87 5.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.77 108.19 3.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.6 mt -87.83 108.54 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.7 m -68.29 160.22 76.6 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.59 0.71 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 2.09 3.84 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.0 p -103.48 25.64 9.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 25.62 15.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 5.4 m170 -116.77 154.72 30.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -127.47 140.69 51.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 64.5 m-85 -150.8 159.88 44.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -63.34 126.18 26.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -49.56 -20.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 34.3 pttt -91.45 -40.24 11.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 85.8 m -70.45 -49.29 50.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 tp -53.39 -53.91 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.9 mt -48.36 -47.31 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -65.86 -56.2 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.466 ' CE2' ' HB3' ' A' ' 116' ' ' PRO . 57.0 t-105 -54.83 -29.77 55.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.92 -39.06 90.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.96 -59.62 5.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.5 m -59.23 -41.81 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.443 ' HG2' ' CG2' ' A' ' 114' ' ' VAL . 10.0 ttm180 -140.28 126.84 20.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.33 47.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 112' ' ' ARG . 16.1 m -148.63 171.2 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 10.9 t -78.57 133.79 62.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.466 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.77 6.68 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 98' ' ' HIS . 37.9 mt -124.53 -76.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 119' ' ' ASN . 26.6 p -70.69 -3.19 17.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 118' ' ' CYS . 4.4 p30 46.57 48.46 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.6 tpp -123.28 137.03 27.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.01 166.3 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.2 -36.02 4.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.87 -52.82 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.2 p -98.72 -23.97 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.3 mt 62.21 52.18 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASP . 15.0 mm-40 -134.07 131.71 39.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -35.65 145.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -86.09 149.31 25.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -134.58 147.35 62.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.15 6.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -47.26 -38.67 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.32 124.89 44.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -44.07 156.32 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.1 mt -136.32 118.08 15.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.17 111.07 3.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.7 mp -87.59 121.16 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.43 157.35 75.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.666 0.746 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.56 2.7 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.1 p -110.37 32.28 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp 52.61 47.19 25.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.545 ' CD2' HD12 ' A' ' 117' ' ' LEU . 22.1 m170 -145.81 120.58 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.53 150.4 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 97.3 m-85 -150.32 165.47 32.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' ARG . 34.0 m80 -72.2 126.59 30.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' HIS . 2.5 mmp_? -37.14 -38.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -77.55 -58.66 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 65.6 m -42.9 -57.41 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -48.69 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.5 mt -39.89 -55.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -52.31 -48.16 65.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.48 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 67.3 t-105 -65.91 -31.13 71.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.5 mt -68.54 -38.81 81.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.85 -50.15 57.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 112' ' ' ARG . 28.0 m -75.62 -47.91 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.428 ' N ' HG23 ' A' ' 111' ' ' VAL . 21.7 ttt85 -148.37 130.75 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -84.29 68.12 10.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 3.3 m -147.12 165.58 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 45.8 t -81.29 127.19 74.63 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.753 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.4 Cg_endo -69.84 7.69 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 98' ' ' HIS . 15.0 mt -115.25 -66.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 19.8 p -85.98 -12.76 49.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 26.8 t30 64.66 32.18 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -105.83 134.05 19.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.556 ' N ' ' CE2' ' A' ' 85' ' ' PHE . 13.4 t -53.23 166.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.06 -32.32 5.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.77 -53.84 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.6 -23.72 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.6 mt 66.04 46.64 2.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -129.14 137.2 51.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -41.81 147.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CE2' ' N ' ' A' ' 78' ' ' CYS . 33.3 m-85 -94.31 134.86 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -119.99 152.52 54.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -33.52 16.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -49.35 -40.15 34.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -95.17 133.24 39.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.15 133.62 56.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.56 125.83 51.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.91 120.35 6.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.47 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 94' ' ' CYS . 5.3 mp -89.73 139.28 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.764 0.316 . . . . 0.0 111.161 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.443 ' N ' HG22 ' A' ' 93' ' ' ILE . 1.7 m -104.19 161.68 22.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.574 0.702 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.68 4.26 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 p -111.21 29.93 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt 52.45 46.15 27.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -140.02 136.1 33.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.52 144.38 42.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -147.07 155.33 42.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' ARG . 35.9 m80 -57.6 125.97 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' HIS . 11.8 mmt180 -36.91 -39.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -77.07 -60.64 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.5 m -39.17 -53.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.1 tp -54.86 -56.17 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.6 mt -48.27 -48.21 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -63.26 -57.32 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.497 ' CE2' ' HB2' ' A' ' 112' ' ' ARG . 76.3 t-105 -47.42 -48.74 26.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.3 mt -50.16 -32.15 15.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.69 -62.58 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 112' ' ' ARG . 14.0 p -80.63 -50.38 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.497 ' HB2' ' CE2' ' A' ' 108' ' ' TRP . 7.5 mmm180 -114.53 108.64 17.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -81.02 43.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.489 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 28.7 m -147.21 175.94 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.46 ' C ' ' H ' ' A' ' 117' ' ' LEU . 42.5 t -73.3 125.25 90.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.658 0.742 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 12.78 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' A' ' 115' ' ' CYS . 15.5 mt -125.45 -57.4 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.453 ' O ' ' ND2' ' A' ' 119' ' ' ASN . 30.4 p -105.18 5.51 32.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 118' ' ' CYS . 1.0 OUTLIER 46.64 27.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.416 ' CB ' ' SG ' ' A' ' 118' ' ' CYS . 3.7 tpt -73.71 135.45 77.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.549 0.69 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.808 0.337 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.26 163.73 6.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.7 -37.17 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.18 -60.41 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.5 p -91.9 -26.67 18.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 mt 64.71 51.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' ASP . 65.5 mm-40 -126.93 126.07 42.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -36.76 112.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -46.45 139.88 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -127.55 145.62 55.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -41.0 4.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -47.3 -37.31 10.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -97.44 137.84 35.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.75 139.27 58.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.1 mt -122.96 131.07 53.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.84 113.57 4.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 99' ' ' ALA . 44.2 mm -85.41 110.79 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -66.65 161.87 56.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.95 2.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.747 2.298 . . . . 0.0 112.333 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 p -106.47 30.56 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt 50.9 43.53 28.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.514 ' CD2' HD13 ' A' ' 117' ' ' LEU . 4.5 m170 -129.34 147.74 51.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 93' ' ' ILE . . . -106.9 138.55 42.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 82.2 m-85 -150.31 156.94 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -77.71 134.02 38.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 106' ' ' ILE . 1.4 mmp_? -42.97 -33.63 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -83.77 -55.74 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.5 m -46.02 -54.88 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.5 tp -52.28 -54.13 35.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 102' ' ' ARG . 70.3 mt -54.17 -51.27 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -57.52 -44.94 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 116' ' ' PRO . 76.0 t-105 -62.57 -57.37 11.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.3 mt -37.05 -48.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -40.76 -59.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.51 -62.07 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -129.16 139.3 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.96 36.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.67 162.15 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 39.4 t -74.58 127.62 87.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.458 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 53.4 Cg_endo -69.8 6.76 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.514 HD13 ' CD2' ' A' ' 98' ' ' HIS . 29.0 mt -114.32 -69.57 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.3 p -81.57 -12.07 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 36.6 t30 60.44 44.58 11.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.3 ttt -125.73 136.72 28.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.712 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 53.6 t -50.9 120.9 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.49 19.29 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.3 -42.35 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 27.9 p -119.22 1.64 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.3 mt 53.76 55.04 8.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -141.55 140.22 33.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -54.43 157.16 2.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 28.1 m-85 -93.62 147.34 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -141.19 145.83 40.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -36.75 10.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.328 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -48.33 -38.09 18.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.76 175.38 6.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -83.92 157.09 22.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 85' ' ' PHE . 22.7 mt -153.23 136.5 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.27 106.27 2.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 77.2 mt -84.22 118.2 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.5 m -81.67 162.63 57.31 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.6 0.715 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 5.06 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.7 p -107.21 32.01 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm 52.62 41.71 31.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.566 ' CD2' HD13 ' A' ' 117' ' ' LEU . 10.3 m170 -133.64 149.73 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.19 138.7 53.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 68.6 m-85 -149.97 141.04 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -49.48 121.92 5.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -38.49 -40.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -71.67 -45.64 61.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 54.0 m -59.71 -56.07 26.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.3 tp -46.73 -54.93 8.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 68.6 mt -49.87 -60.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -42.81 61.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.429 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 71.9 t-105 -65.08 -38.49 90.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.425 ' O ' ' CD ' ' A' ' 113' ' ' LYS . 13.5 mt -64.54 -31.42 72.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.04 -60.32 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.32 -48.68 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -127.94 112.85 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 113' ' ' LYS . 3.7 mppt? -80.98 42.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.429 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 34.9 m -132.26 175.98 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 117' ' ' LEU . 5.7 t -87.3 128.29 55.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 9.83 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 98' ' ' HIS . 18.9 mt -127.98 -57.87 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 119' ' ' ASN . 31.6 p -104.27 16.98 25.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 118' ' ' CYS . 2.1 p30 32.03 52.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 57.0 mtp -104.41 144.03 27.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.362 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 50.4 t -58.51 125.34 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.33 19.69 7.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.5 t -110.88 -38.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.7 p -123.55 9.06 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt 48.24 55.02 9.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -142.17 168.08 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.75 148.26 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -75.83 157.59 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -144.49 152.44 53.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -34.99 13.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -49.29 -36.45 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -105.04 151.13 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.42 146.71 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -120.0 145.35 46.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.24 108.98 1.35 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.1 mt -85.89 116.98 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.51 162.2 69.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.37 2.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.8 p -104.95 32.46 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.76 46.08 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.575 ' CD2' HD13 ' A' ' 117' ' ' LEU . 14.0 m170 -144.13 141.79 30.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.31 142.97 45.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 98.8 m-85 -146.81 155.32 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 103' ' ' LYS . 29.5 m80 -58.2 122.88 14.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.491 ' O ' ' CD1' ' A' ' 106' ' ' ILE . 6.8 mmt85 -37.24 -31.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' HIS . 51.3 tttt -84.4 -60.47 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 88.4 m -43.41 -47.42 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.71 -54.49 45.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 102' ' ' ARG . 61.4 mt -52.61 -49.89 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -58.79 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' LEU . 60.1 t-105 -47.94 -54.74 11.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' TRP . 35.5 mt -34.38 -50.23 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -46.73 -65.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.54 -47.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -134.75 118.12 16.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.34 37.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.4 m -140.13 170.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.416 ' C ' ' H ' ' A' ' 117' ' ' LEU . 42.1 t -78.68 127.78 79.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 7.73 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' A' ' 98' ' ' HIS . 12.7 mt -117.07 -67.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 23.8 p -84.77 -25.35 28.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.87 38.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.06 136.62 22.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.692 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.353 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.851 0.358 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.2 t -67.48 164.65 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.69 -30.01 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -75.04 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.6 p -87.1 -25.67 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mt 65.0 49.12 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -130.25 136.05 48.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -41.07 122.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.441 ' CD1' HD23 ' A' ' 91' ' ' LEU . 25.3 m-85 -51.62 163.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -144.26 144.84 27.16 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.23 9.45 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -46.63 -39.49 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.24 143.65 27.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -74.29 62.7 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 90' ' ' GLU . 68.3 mt -34.0 101.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.16 125.06 6.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.45 131.01 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.26 160.72 39.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.21 2.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.262 . . . . 0.0 112.317 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 p -112.2 35.93 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt 48.26 42.87 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.568 ' CD2' HD13 ' A' ' 117' ' ' LEU . 32.7 m170 -136.96 123.51 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.48 150.0 23.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.498 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 81.6 m-85 -150.79 161.29 42.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' ARG . 23.0 m80 -70.1 131.38 44.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' HIS . 12.7 mmm180 -37.18 -40.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -78.9 -64.49 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 84.8 m -37.36 -48.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.49 -63.63 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 53.8 mt -43.1 -56.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.99 -53.04 29.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.545 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 75.4 t-105 -57.4 -46.21 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -54.69 -39.11 67.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -55.57 -64.31 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.82 -53.51 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -127.05 129.89 48.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -88.73 43.83 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.545 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 33.8 m -135.11 173.98 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 30.1 t -89.44 129.66 46.49 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.725 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.498 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.6 Cg_endo -69.78 6.59 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 98' ' ' HIS . 15.9 mt -114.77 -72.22 0.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.3 p -78.07 -20.37 52.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 12.9 m-20 60.74 47.76 7.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.3 mmt -113.15 150.93 43.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.546 0.688 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 32.3 t -47.69 164.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.58 -34.73 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.8 t -66.53 -46.41 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.1 p -110.11 -26.08 9.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt 66.43 54.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -135.16 126.08 27.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -40.54 127.93 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -60.31 146.65 43.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -135.72 152.45 76.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -33.54 16.42 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.728 2.285 . . . . 0.0 112.328 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -52.59 -32.95 43.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -114.42 130.44 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -48.14 160.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.3 mt -136.69 110.83 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.33 106.05 3.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 61.4 mt -88.71 122.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.24 161.55 69.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.5 2.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.3 p -107.16 36.35 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt 51.25 35.26 13.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.544 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 6.1 m170 -123.83 148.53 46.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.18 144.43 49.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 56.7 m-85 -150.63 162.49 40.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -76.54 136.34 39.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -45.79 -32.93 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 13.7 ptpt -84.08 -36.23 23.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 30.7 m -65.98 -54.18 29.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.56 -66.89 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 98.0 mt -42.39 -55.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -57.52 -39.57 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.474 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 77.0 t-105 -65.45 -38.85 91.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.63 -28.01 68.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -62.11 -62.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 112' ' ' ARG . 7.8 p -70.21 -45.57 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.484 ' N ' HG12 ' A' ' 111' ' ' VAL . 58.8 mtm-85 -136.28 119.85 17.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.23 35.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.444 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 27.5 m -129.98 173.85 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 117' ' ' LEU . 3.6 t -82.06 125.73 76.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.474 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.71 9.04 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.391 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 98' ' ' HIS . 92.6 mt -125.8 -52.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 119' ' ' ASN . 30.8 p -111.74 19.27 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 118' ' ' CYS . 2.0 p30 33.22 52.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.8 mmm -104.51 144.41 28.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 t -125.07 130.13 51.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.936 0.398 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.2 p -152.61 126.1 8.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 152.31 40.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.437 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -45.87 105.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 t -162.7 152.24 15.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.41 166.34 34.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.58 122.63 27.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.7 p -116.77 127.74 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -127.2 88.77 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 72' ' ' LEU . 6.5 tp10 -132.2 98.88 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 71' ' ' GLU . 46.9 mt -34.57 129.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -77.63 143.12 38.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mt -141.49 162.49 35.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.15 39.32 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -145.24 113.7 6.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt -140.77 134.0 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -42.5 164.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.74 -36.59 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.77 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.8 p -89.15 -27.97 20.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.6 mt 66.88 54.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -133.67 133.34 41.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -41.43 122.71 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -57.6 140.45 50.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -122.09 146.8 47.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -36.39 11.12 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.397 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -49.4 -40.37 35.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -95.02 142.54 27.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.76 148.26 51.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.9 mt -120.14 126.48 50.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.91 121.3 7.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.443 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 94' ' ' CYS . 5.3 mp -89.67 135.81 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.32 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.409 ' N ' HG21 ' A' ' 93' ' ' ILE . 1.6 m -101.39 162.12 21.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.51 2.76 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.7 p -112.94 31.38 6.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt 49.83 42.84 24.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.574 ' CD2' HD12 ' A' ' 117' ' ' LEU . 32.8 m170 -137.19 121.64 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.5 144.09 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.557 ' CE1' ' HB3' ' A' ' 98' ' ' HIS . 41.6 m-85 -144.68 167.8 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -67.8 130.43 42.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' A' ' 106' ' ' ILE . 1.0 OUTLIER -42.79 -34.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -80.68 -52.79 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 69.7 m -50.77 -48.81 59.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.8 tp -60.9 -66.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 102' ' ' ARG . 59.7 mt -39.14 -49.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -65.64 -62.79 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.439 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 62.9 t-105 -46.29 -29.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.79 -35.18 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.88 -53.19 54.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.7 m -75.12 -33.24 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -147.97 107.29 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -75.9 48.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.439 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 20.3 m -143.68 166.7 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 20.9 t -82.71 126.37 73.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.43 2.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 98' ' ' HIS . 12.6 mt -110.87 -71.16 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.3 p -79.6 -29.19 41.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 73.06 43.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.436 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 3.1 ttt -105.54 141.24 22.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.9 Cg_endo -69.75 108.36 2.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.9 t -111.82 84.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.4 ' N ' HD13 ' A' ' 123' ' ' LEU . 10.0 mp -105.54 -47.87 3.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -121.18 137.84 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.07 102.92 5.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.45 87.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -52.97 144.14 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.7 mt -87.33 86.13 7.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.0 m -89.57 -57.31 2.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' A' ' 132' ' ' SER . . . -144.31 165.47 27.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 7.99 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 130' ' ' GLY . 8.6 m -77.75 51.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.7 t -140.01 127.1 20.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.0 m -149.68 149.51 30.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.376 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 t -161.47 170.7 19.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.9 109.15 1.96 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -140.56 108.89 5.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -112.86 124.58 52.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.49 77.54 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -83.12 111.16 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.3 p -69.65 115.59 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -172.58 153.29 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -66.6 118.77 10.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.3 mt -105.81 123.86 48.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -87.19 162.3 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.16 126.05 35.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -132.62 177.76 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.06 97.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.9 mt -92.26 136.59 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 52.6 t -44.16 124.73 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.66 20.57 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t -111.3 -41.69 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.7 p -117.37 -9.92 10.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.7 mt 61.25 49.33 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -138.29 125.54 21.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.8 142.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 36.1 m-85 -74.34 144.73 44.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -132.11 149.81 74.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.56 0.695 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -39.18 6.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.8 mtp180 -47.17 -39.76 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -99.74 128.21 45.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.26 139.29 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.8 mt -119.72 117.71 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.5 106.01 3.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 98.2 mt -83.79 138.84 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.2 m -99.35 158.02 32.97 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.589 0.709 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 6.09 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.3 p -111.7 28.67 8.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp 55.9 43.7 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.57 ' CD2' HD11 ' A' ' 117' ' ' LEU . 21.0 m170 -141.52 124.08 15.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.42 150.01 26.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 89.6 m-85 -150.99 163.78 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 102' ' ' ARG . 43.2 m80 -73.87 128.57 35.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 101' ' ' HIS . 22.0 mmt85 -36.75 -45.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -70.63 -54.85 10.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.5 m -47.07 -52.18 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.4 tp -56.49 -60.79 3.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 67.8 mt -44.71 -43.27 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -67.2 -54.52 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' LEU . 67.9 t-105 -53.79 -58.22 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' TRP . 56.2 mt -34.97 -54.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -40.43 -57.42 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.94 -48.49 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 mtt180 -149.62 128.17 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -76.7 47.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 31.6 m -139.4 176.11 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.3 t -89.08 128.38 51.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 4.62 2.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 98' ' ' HIS . 14.3 mt -113.86 -71.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.5 p -79.57 -29.31 41.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 71.11 47.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.4 mmm -115.89 150.17 44.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.559 0.695 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 111.51 2.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.393 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.1 p -144.09 132.28 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -132.46 -58.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -67.82 104.05 1.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.6 mt -75.18 96.78 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.03 -44.98 64.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 61.66 39.56 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 25.1 mt -128.11 81.92 2.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.9 p -61.41 157.8 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 167.66 90.8 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -177.3 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -46.79 159.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.1 m -51.99 -61.33 2.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.54 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.9 p -78.02 96.08 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -73.0 -32.32 65.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.64 43.5 3.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 t -95.52 143.95 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.8 p -139.5 167.77 21.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.11 86.8 1.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -125.66 91.49 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.95 139.16 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.21 135.86 57.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -140.76 125.28 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.4 pp -47.18 165.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -161.16 147.05 14.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.4 mt -92.95 166.41 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -54.4 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -140.7 133.02 28.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mt -110.39 152.41 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 50.5 t -72.81 109.08 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.72 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.85 -54.2 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 82' ' ' LEU . 30.8 p -113.44 22.67 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 78' ' ' CYS . 6.8 mt 32.39 55.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -147.91 135.82 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.01 168.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 38.1 m-85 -97.88 147.76 24.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -118.53 148.08 43.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.573 0.701 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -37.58 8.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -48.59 -39.57 24.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.48 145.52 28.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -69.85 134.45 48.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 85' ' ' PHE . 20.3 mt -115.98 127.83 55.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.32 108.73 3.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.08 115.52 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.751 0.31 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.0 m -72.54 158.0 88.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.623 0.725 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.316 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.9 p -107.61 33.59 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 51.36 41.1 27.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.513 ' CG ' HD11 ' A' ' 117' ' ' LEU . 29.5 m170 -139.5 128.11 23.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.47 147.1 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 85.8 m-85 -150.77 152.49 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -59.7 127.42 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -38.68 -36.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -79.23 -56.45 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -48.49 -36.67 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.3 tp -72.69 -62.41 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 53.7 mt -49.94 -36.72 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -76.69 -46.32 26.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.477 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 51.7 t-105 -58.83 -38.43 78.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.14 -24.96 65.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.74 -61.05 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.7 -32.3 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -151.26 110.02 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -76.14 47.79 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.477 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 33.9 m -136.74 176.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 38.1 t -91.26 126.4 54.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 6.43 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 98' ' ' HIS . 17.1 mt -113.31 -68.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 12.6 p -83.55 -21.09 32.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 60.6 m-80 62.61 39.77 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.1 mmt -108.38 145.49 31.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 111.73 2.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.405 ' C ' HD13 ' A' ' 123' ' ' LEU . 5.1 p -147.66 133.89 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 122' ' ' VAL . 7.3 mp -127.8 141.96 51.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -125.18 79.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 127' ' ' GLN . 0.4 OUTLIER -61.56 134.08 56.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.74 45.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.445 ' N ' HD12 ' A' ' 125' ' ' LEU . 23.0 pt20 -117.67 163.07 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.0 mt -85.34 94.42 8.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.5 m -134.75 134.41 40.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -91.44 175.16 38.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 116.42 4.55 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.737 2.291 . . . . 0.0 112.331 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.1 p -156.78 136.92 12.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.5 t -45.46 -56.54 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.7 p -126.2 125.53 42.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.5 p -150.11 135.64 18.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.34 71.64 0.99 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -155.95 162.94 40.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 t -47.93 133.48 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.28 -41.02 12.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -86.36 87.64 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 74.6 t -142.97 120.31 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -149.46 105.35 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -167.66 123.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.99 96.51 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -160.98 115.17 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.1 mt -55.26 175.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -86.31 81.5 8.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.89 40.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mt -146.06 136.27 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.7 t -50.61 153.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.02 -27.48 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.53 -54.1 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 p -104.94 8.29 34.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt 42.55 54.93 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -140.23 160.72 39.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -70.38 151.58 45.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.413 ' HB3' ' CD2' ' A' ' 91' ' ' LEU . 65.3 m-85 -81.38 150.53 28.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -135.68 150.34 71.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -38.68 7.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -49.31 -35.89 19.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -106.55 114.12 28.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -42.79 120.17 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 85' ' ' PHE . 25.9 mt -94.99 108.37 20.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.39 119.92 5.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.407 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 16.0 mm -95.38 113.83 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.79 0.328 . . . . 0.0 111.161 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -72.54 160.13 83.59 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.6 0.715 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.45 2.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.25 . . . . 0.0 112.399 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.1 p -106.33 29.21 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt 54.39 41.61 31.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.504 ' CD2' HD12 ' A' ' 117' ' ' LEU . 5.1 m80 -132.93 143.4 49.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.407 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . . . -107.75 141.64 38.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.471 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 84.9 m-85 -150.46 157.07 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -73.41 127.97 34.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -38.58 -37.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -77.14 -51.94 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.9 m -50.74 -58.45 5.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.0 tp -49.51 -57.74 6.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 81.5 mt -45.81 -48.32 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -63.99 -55.12 24.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 77.2 t-105 -53.29 -33.26 52.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 76.6 mt -67.99 -37.52 81.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -55.51 -47.46 76.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 112' ' ' ARG . 11.1 p -83.07 -51.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.445 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 65.5 mtt180 -128.67 122.2 30.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -82.81 45.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.529 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 29.3 m -141.37 171.52 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.447 ' C ' ' H ' ' A' ' 117' ' ' LEU . 42.2 t -82.37 127.36 71.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.525 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.3 Cg_endo -69.72 10.56 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.504 HD12 ' CD2' ' A' ' 98' ' ' HIS . 14.1 mt -120.56 -67.75 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.6 p -85.89 -9.85 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 2.8 m120 54.65 41.74 31.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.417 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 12.6 ttp -100.65 138.63 20.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.1 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.06 103.37 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -115.83 107.32 14.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -133.71 139.2 46.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 125' ' ' LEU . 3.5 mm? -82.62 42.9 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.77 -42.7 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.56 126.14 35.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 pp -124.27 -42.32 2.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -140.4 119.38 12.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -95.58 156.87 21.66 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -46.98 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.314 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.6 t -94.36 121.06 35.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.8 m -124.64 136.38 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -100.45 139.48 36.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.6 t -138.58 161.45 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.18 168.31 41.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.3 t -144.1 154.04 42.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.9 p -160.9 157.55 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.1 -163.07 18.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.454 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 1.3 mppt? -105.56 143.14 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.0 m -132.38 116.47 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt 37.24 45.29 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -93.15 124.78 37.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.81 138.96 58.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -107.16 83.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 tt -102.06 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.473 ' O ' ' C ' ' A' ' 76' ' ' GLU . 40.7 m80 -64.62 105.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 75' ' ' HIS . 18.4 mt-10 -31.61 108.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 mp -98.04 162.78 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 31.3 t -55.06 163.76 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.87 -38.99 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.55 -62.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.19 -24.94 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.0 mt 63.25 54.59 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' ASP . 17.7 mt-10 -132.86 133.56 43.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.1 p-10 -36.88 130.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 78' ' ' CYS . 22.6 m-85 -78.77 147.57 33.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -137.03 143.2 41.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.718 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -38.34 7.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.98 -39.89 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.14 141.05 29.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.59 136.41 57.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.6 mt -131.99 152.51 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.22 118.39 3.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.44 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.19 140.67 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.6 156.95 35.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 5.11 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.5 p -114.02 31.53 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.3 41.23 32.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.524 ' CG ' HD11 ' A' ' 117' ' ' LEU . 38.1 m170 -136.6 122.61 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.15 147.34 26.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 87.8 m-85 -146.28 167.95 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' ARG . 21.3 m80 -74.69 125.64 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' HIS . 26.0 mmm-85 -37.03 -42.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 104' ' ' CYS . 3.0 tppt? -74.57 -65.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' LYS . 89.0 m -36.98 -54.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 tp -51.32 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 76.2 mt -38.38 -55.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -54.29 -49.59 69.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.478 ' O ' ' C ' ' A' ' 109' ' ' LEU . 55.3 t-105 -62.58 -64.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.478 ' C ' ' O ' ' A' ' 108' ' ' TRP . 21.7 mt -30.76 -44.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -50.83 -65.28 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.471 HG21 ' N ' ' A' ' 112' ' ' ARG . 27.3 m -59.4 -32.52 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.471 ' N ' HG21 ' A' ' 111' ' ' VAL . 58.7 mtt180 -157.11 115.11 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -75.64 48.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.0 m -137.96 161.91 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 31.6 t -74.39 125.72 89.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.519 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.9 Cg_endo -69.74 5.71 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.524 HD11 ' CG ' ' A' ' 98' ' ' HIS . 12.6 mt -111.39 -70.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.6 p -79.43 -18.68 51.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 68.69 50.55 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.3 mmt -133.2 137.87 30.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.713 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 112.85 3.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' A' ' 123' ' ' LEU . 10.9 m -82.5 18.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 122' ' ' VAL . 44.3 mt 32.13 54.63 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.447 ' O ' ' CD ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -79.08 45.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 30.0 mt -117.02 -35.9 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.0 38.68 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -123.14 151.47 42.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.3 mt -123.3 127.55 48.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.5 t -70.66 -52.34 21.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 81.4 146.15 5.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.98 2.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.5 m -51.24 138.69 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.3 p -164.56 155.06 14.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.432 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 t -89.46 111.96 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -66.22 103.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 166.76 81.77 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -168.87 114.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.7 m -88.4 176.34 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.26 107.29 0.44 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -160.36 174.72 13.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -91.32 174.04 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -131.09 95.23 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -103.98 44.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.7 mt -91.69 -7.67 49.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -118.44 164.48 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 mp -123.84 133.33 53.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -141.97 109.82 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -142.91 -174.96 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mt -141.04 148.84 40.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.4 t -55.2 164.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.28 -19.17 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.3 t -86.13 -59.66 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.9 p -90.58 -17.14 27.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt 59.43 52.36 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' ASP . 69.4 mt-10 -133.72 133.49 41.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.8 m-20 -35.67 141.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.621 ' CD1' ' CD2' ' A' ' 91' ' ' LEU . 8.4 m-85 -75.29 154.07 37.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -131.95 141.24 40.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -40.57 5.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -50.31 -37.41 36.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.52 148.9 21.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.42 124.87 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.621 ' CD2' ' CD1' ' A' ' 85' ' ' PHE . 3.2 mp -100.66 115.37 30.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.57 104.49 0.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.5 mt -83.86 99.07 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 111.132 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 33.4 m -64.79 157.8 72.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.732 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 4.29 2.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.4 p -104.91 21.85 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.6 mmpt? 62.2 48.93 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 100' ' ' PHE . 33.9 m170 -148.62 125.43 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.8 146.76 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 98' ' ' HIS . 44.1 m-85 -147.87 155.23 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 102' ' ' ARG . 32.0 m80 -58.08 121.97 11.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' HIS . 8.0 mmt180 -38.39 -34.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -78.55 -59.85 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.2 m -44.09 -62.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 106' ' ' ILE . 14.4 tp -40.58 -63.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 72.7 mt -37.16 -53.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -57.44 -52.5 65.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.44 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 76.4 t-105 -57.7 -33.46 68.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.3 mt -75.01 -39.56 61.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -49.38 -34.07 15.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 112' ' ' ARG . 12.6 p -103.08 -49.15 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.42 ' N ' ' CG1' ' A' ' 111' ' ' VAL . 73.9 mtt180 -128.54 112.63 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -78.22 46.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.5 m -132.24 176.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.5 t -93.24 124.82 56.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.44 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.3 Cg_endo -69.77 6.1 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.515 HD11 ' CG ' ' A' ' 98' ' ' HIS . 17.0 mt -113.15 -69.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.1 p -80.87 -20.93 41.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 48.0 t30 60.92 52.47 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 17.3 ptm -120.93 143.9 37.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 109.13 2.23 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.663 2.242 . . . . 0.0 112.409 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.06 112.18 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -101.36 130.34 47.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 125' ' ' LEU . 4.2 pt20 -42.02 154.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 124' ' ' GLN . 1.6 pp -35.01 128.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 127' ' ' GLN . . . -115.47 -43.84 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 126' ' ' ALA . 12.9 mm100 -36.65 145.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 130' ' ' GLY . 4.1 pp -129.74 161.71 30.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.4 p -68.22 -44.59 75.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.418 ' N ' HD12 ' A' ' 128' ' ' LEU . . . 132.13 -175.72 19.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.15 31.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' SER . 84.7 p -152.61 105.46 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 132' ' ' SER . 2.7 m -34.6 -47.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p -138.79 109.65 6.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.3 m -133.65 123.83 25.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.68 56.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.1 p -113.72 110.91 20.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.836 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.6 m -120.99 143.35 49.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.61 133.16 7.68 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -100.17 100.66 11.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.3 134.97 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 71' ' ' GLU . 10.5 mttp -125.7 51.92 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 70' ' ' LYS . 77.3 mt-10 33.61 49.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.9 41.89 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.05 82.29 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mt -126.68 42.55 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -118.33 -54.55 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -129.12 118.98 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt -122.24 157.19 32.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.72 166.32 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.27 -40.51 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.89 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 13.4 p -107.21 -21.78 12.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.9 mt 61.81 53.75 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -136.59 136.95 39.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.38 147.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.819 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CD1' HD21 ' A' ' 91' ' ' LEU . 45.3 m-85 -87.73 95.15 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -76.65 156.86 82.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.37 2.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -48.29 -38.78 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -91.03 133.88 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.94 142.17 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 85' ' ' PHE . 12.7 mt -117.25 115.22 24.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.73 108.1 3.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 70.7 mt -84.11 109.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.4 m -68.15 160.53 74.41 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.418 ' CG ' HG11 ' A' ' 122' ' ' VAL . 53.4 Cg_endo -69.74 4.19 2.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.284 . . . . 0.0 112.348 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.4 p -107.18 35.69 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 48.43 44.9 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.45 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 9.9 m80 -140.55 143.18 35.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.16 142.08 45.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.45 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 96.5 m-85 -149.16 149.52 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -61.25 134.69 57.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -40.41 -47.5 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 104' ' ' CYS . 17.3 mmmt -71.44 -64.26 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 103' ' ' LYS . 85.3 m -37.19 -44.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.76 -63.89 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.3 mt -43.53 -47.21 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -67.17 -56.76 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.467 ' CZ2' ' HB3' ' A' ' 116' ' ' PRO . 53.4 t-105 -49.49 -36.32 22.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.4 -37.24 74.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -53.37 -60.38 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.2 p -71.69 -49.75 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.471 ' N ' HG13 ' A' ' 111' ' ' VAL . 3.4 ttm180 -127.12 114.75 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.21 46.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 112' ' ' ARG . 5.4 m -148.96 168.84 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.1 t -76.95 125.61 86.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.467 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 53.5 Cg_endo -69.77 5.95 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.442 ' CD1' ' CD2' ' A' ' 98' ' ' HIS . 13.6 mt -112.79 -69.17 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.7 p -83.03 -27.74 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 74.59 38.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.3 ttt -103.15 136.86 19.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.517 0.675 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 108.2 2.04 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.418 HG11 ' CG ' ' A' ' 95' ' ' PRO . 42.9 t -88.35 106.84 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.78 40.64 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -76.91 90.98 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 31.3 tp -109.66 81.67 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.6 -44.99 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -42.26 122.24 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.84 -44.16 4.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.3 m -147.25 164.74 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 88.94 85.24 1.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -39.16 6.85 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 97.6 p -74.42 161.22 30.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.7 p -117.44 89.79 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.4 p -87.29 155.55 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.4 p -139.42 165.58 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 166.12 45.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 p -135.15 171.99 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.1 p -46.69 152.23 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.34 89.84 1.62 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -125.66 138.69 53.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 70' ' ' LYS . 5.0 p -168.74 138.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.164 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 69' ' ' VAL . 9.6 mptt -121.89 151.57 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.52 166.62 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 tt 39.92 41.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -104.86 94.44 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.2 tp -84.69 58.69 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.3 m80 53.7 48.15 22.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.18 41.22 1.12 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mt -143.97 147.6 34.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 41.9 t -60.56 110.46 1.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.39 -22.84 63.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.44 -46.3 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.94 -1.59 12.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 78' ' ' CYS . 7.9 mp 56.63 54.17 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -138.33 165.89 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.33 162.26 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 37.6 m-85 -96.38 125.45 40.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -116.73 146.24 37.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -39.43 6.67 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.733 2.288 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -48.6 -37.36 17.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -100.2 116.51 32.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.51 141.95 4.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 101' ' ' HIS . 86.8 mt -132.04 132.24 43.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.3 118.76 5.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.8 mp -88.62 136.33 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 m -101.39 160.17 27.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.21 2.91 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.631 2.221 . . . . 0.0 112.332 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.79 25.76 11.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 0.0 OUTLIER 56.38 49.77 14.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.539 ' CD2' HD11 ' A' ' 117' ' ' LEU . 35.7 m170 -149.01 122.92 9.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.09 148.38 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 98' ' ' HIS . 21.1 m-85 -147.33 140.16 24.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.411 ' HA ' ' CD2' ' A' ' 91' ' ' LEU . 44.8 m80 -40.06 125.96 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -39.78 -38.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 19.3 ptmt -74.78 -50.26 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 57.7 m -52.79 -53.88 42.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ILE . 14.7 tp -53.45 -64.95 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 105' ' ' LEU . 57.2 mt -37.68 -52.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -60.8 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.572 ' CE2' ' CB ' ' A' ' 112' ' ' ARG . 63.3 t-105 -47.67 -31.05 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.05 -38.99 79.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -44.57 -50.89 9.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 112' ' ' ARG . 33.8 m -104.9 -52.32 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.572 ' CB ' ' CE2' ' A' ' 108' ' ' TRP . 21.2 mmt180 -90.33 94.86 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -81.7 39.87 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.1 m -149.0 175.47 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 117' ' ' LEU . 4.7 t -82.04 124.36 78.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 8.66 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.539 HD11 ' CD2' ' A' ' 98' ' ' HIS . 13.3 mt -118.28 -66.64 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.7 p -85.19 -13.65 49.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 45.5 t30 60.03 47.6 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 21.3 mmt -113.57 154.11 45.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.691 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 108.87 2.17 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.43 110.43 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 24.5 tp -133.43 93.64 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -118.95 81.63 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.6 tp -152.33 122.83 7.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -122.8 39.67 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 42.35 42.5 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 mp -56.54 -55.11 37.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.8 p -167.65 155.23 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -134.38 -125.24 2.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.8 Cg_endo -69.69 1.41 4.41 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.716 2.278 . . . . 0.0 112.356 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 131' ' ' PRO . 40.7 t -33.99 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 51.4 p -74.93 173.91 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 t -141.41 150.89 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.3 m -107.99 85.55 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.43 -159.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -112.85 165.65 12.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -142.74 133.12 24.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.92 118.94 0.49 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -126.9 114.49 17.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -57.08 136.26 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -115.28 155.53 27.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.19 83.75 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -150.02 169.75 20.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -126.43 161.62 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.8 tp -162.97 151.51 14.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -105.21 -40.07 5.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -98.86 109.01 21.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.477 HD11 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -96.19 150.82 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 85' ' ' PHE . 22.6 t -43.93 164.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.77 -34.86 6.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.7 t -71.26 -62.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.5 p -87.33 -23.44 24.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.9 mt 65.35 53.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -135.04 143.94 47.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -50.17 115.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 78' ' ' CYS . 44.8 m-85 -51.42 164.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -137.68 142.64 37.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.529 0.68 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -37.17 9.64 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -46.23 -39.65 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -81.58 160.76 23.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' LEU . 20.4 mt-10 -87.5 62.13 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' GLU . 34.5 mt -37.51 109.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.78 115.43 4.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 94' ' ' CYS . 5.2 mp -85.43 136.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.436 ' N ' HG22 ' A' ' 93' ' ' ILE . 77.0 m -97.27 156.15 36.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.711 . . . . 0.0 110.863 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 4.48 2.17 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 20.2 p -111.85 25.41 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mttt 59.41 38.4 22.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.522 ' CG ' HD13 ' A' ' 117' ' ' LEU . 44.7 m170 -134.85 127.85 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.22 150.55 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 66.6 m-85 -150.7 163.62 38.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -68.3 132.22 46.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -37.96 -42.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 104' ' ' CYS . 26.6 tptt -78.3 -66.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' LYS . 88.0 m -33.58 -58.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -47.49 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.6 mt -41.57 -55.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -50.49 -47.66 57.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 71.7 t-105 -62.89 -46.0 89.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 27.3 mt -52.37 -36.94 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.78 -61.46 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 112' ' ' ARG . 30.1 m -62.52 -43.71 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.468 ' N ' HG23 ' A' ' 111' ' ' VAL . 11.4 ttm180 -143.72 124.04 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.4 ' C ' HG11 ' A' ' 114' ' ' VAL . 7.4 ptmm? -79.23 45.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.458 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 5.1 m -138.82 168.68 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.41 ' C ' ' H ' ' A' ' 117' ' ' LEU . 28.7 t -82.57 125.85 75.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.565 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.1 Cg_endo -69.85 7.27 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.522 HD13 ' CG ' ' A' ' 98' ' ' HIS . 16.0 mt -112.9 -66.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.0 p -85.16 -15.23 44.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 60.34 42.99 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.7 ttt -112.08 133.34 21.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 108.63 2.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.757 2.305 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 29.2 t -91.69 139.34 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.5 mt -129.84 80.87 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -174.03 120.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.426 HD11 ' N ' ' A' ' 125' ' ' LEU . 10.9 mp -110.95 102.97 11.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 125' ' ' LEU . . . 36.03 42.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -134.7 93.55 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.2 mp -80.66 81.91 6.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.5 t -58.64 -53.75 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 139.25 133.88 3.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 1.41 4.42 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.37 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.1 t -132.99 139.69 47.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.3 m -96.12 42.09 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.8 p -55.21 114.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.2 t -116.26 107.21 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.59 60.19 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -111.69 43.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -63.0 151.56 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.52 43.75 94.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -128.94 91.23 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.3 t -129.18 83.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -119.45 118.82 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -113.97 40.8 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.98 157.98 20.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -116.46 91.15 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.0 tp -133.72 -59.87 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -77.37 146.12 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -98.09 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.417 ' CD2' ' H ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -91.19 145.97 24.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 85' ' ' PHE . 19.5 t -44.93 165.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.68 -26.44 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.3 t -84.61 -59.37 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.0 p -89.02 -24.31 22.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.7 mt 63.34 52.84 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 84' ' ' ASP . 14.4 mt-10 -133.21 135.56 45.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 83' ' ' GLU . 32.0 m-20 -38.13 127.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 78' ' ' CYS . 13.6 m-85 -72.21 146.24 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -134.12 144.87 53.25 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -37.48 9.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -47.82 -39.21 17.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.46 131.17 37.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -58.13 123.98 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.44 159.98 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.62 107.25 0.86 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.1 mt -84.95 121.34 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.788 0.327 . . . . 0.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.35 161.51 54.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.57 3.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.338 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.2 p -103.26 26.89 7.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.31 42.42 31.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 23.0 m170 -140.32 128.3 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.32 144.22 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 54.3 m-85 -147.76 141.28 25.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 103' ' ' LYS . 44.7 m80 -49.91 123.44 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' HIS . 0.7 OUTLIER -37.09 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' HIS . 52.4 mtmt -82.85 -55.05 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 67.5 m -47.75 -51.41 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.8 tp -55.15 -59.8 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.4 mt -48.44 -48.39 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -60.12 -55.17 37.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -53.12 -49.46 66.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -40.95 -54.77 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -38.77 -43.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.6 t -77.79 -66.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -118.6 139.23 51.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -92.27 39.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.3 m -142.67 167.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.449 ' C ' ' H ' ' A' ' 117' ' ' LEU . 50.2 t -74.15 128.45 86.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 11.32 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.349 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.472 HD12 ' CG ' ' A' ' 98' ' ' HIS . 39.2 mt -121.82 -62.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.2 -14.12 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 60.59 41.3 15.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.2 136.28 21.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 107.96 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.54 122.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.51 125.16 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -83.19 122.5 28.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.2 tp -77.39 111.63 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.27 -51.49 13.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -53.52 145.81 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.21 152.32 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.7 m -132.91 91.22 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.94 122.32 0.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 115.26 4.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 89.9 p 41.66 42.89 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.6 t -97.23 104.34 16.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 99.2 p -97.37 120.96 38.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 t -117.1 170.51 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.47 -177.3 46.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.8 t -145.57 161.37 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.5 t -102.77 112.04 24.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.22 -165.45 19.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -111.04 130.15 55.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.4 m -42.98 163.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.03 147.78 39.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -124.55 138.77 54.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp -68.49 137.92 54.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -110.18 127.0 54.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.8 mt -92.85 -47.98 6.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -73.42 -178.84 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -116.58 117.19 29.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 84' ' ' ASP . 12.3 mt -131.88 134.47 45.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 17.2 t -43.89 165.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.23 -35.33 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.6 t -68.29 -45.68 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 19.0 p -107.29 -18.37 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 mt 55.57 52.3 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' ASP . 15.8 mt-10 -131.32 127.83 38.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.429 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 3.2 m-20 -36.61 123.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -53.66 137.91 36.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -123.57 144.96 45.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -30.46 22.22 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -52.12 -40.02 60.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.48 159.11 15.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -85.41 94.8 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.1 103.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.95 113.76 3.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.3 mm -85.07 135.22 25.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.59 162.27 28.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.8 2.54 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.396 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 p -108.47 27.44 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt 58.58 29.78 18.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 117' ' ' LEU . 12.2 m170 -114.07 159.94 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.1 136.26 54.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 93.5 m-85 -148.88 150.02 32.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 102' ' ' ARG . 37.9 m80 -72.11 134.93 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 101' ' ' HIS . 10.5 mtp180 -36.1 -55.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' CYS . 6.0 tptp -64.25 -63.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' LYS . 58.8 m -36.38 -47.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 106' ' ' ILE . 13.4 tp -68.41 -69.48 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' LEU . 91.4 mt -36.71 -49.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -65.12 -58.21 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.401 ' CZ2' ' HB3' ' A' ' 116' ' ' PRO . 58.4 t-105 -46.84 -55.85 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.7 mt -39.7 -46.58 1.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -48.32 -56.12 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.36 -58.52 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -126.64 122.02 33.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -79.35 46.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.2 m -143.65 174.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.434 ' C ' ' H ' ' A' ' 117' ' ' LEU . 3.7 t -87.46 124.77 67.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.731 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.401 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 53.5 Cg_endo -69.75 9.69 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 98' ' ' HIS . 12.1 mt -124.0 -51.79 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.72 15.09 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 11.2 t-20 38.61 41.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.441 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 14.6 ttt -91.98 139.73 24.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.7 Cg_endo -69.74 108.23 2.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.6 t -112.66 119.73 61.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.3 mp -99.32 127.99 45.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -59.85 114.01 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 tp -118.31 46.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.45 -49.02 6.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.061 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -148.61 133.1 17.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.9 mp -140.48 161.08 38.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.3 m 47.5 45.81 17.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -146.35 -176.64 20.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 106.33 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.3 m -81.35 165.11 21.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.8 p -103.91 110.23 22.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.493 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.1 t -99.23 164.52 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.0 p -67.56 177.66 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.73 91.8 0.13 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.1 t -108.68 92.97 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.6 m -40.4 119.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.92 161.16 25.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -128.03 156.26 43.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -37.35 121.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.96 150.48 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -158.02 111.92 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -125.04 124.69 42.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -116.93 42.92 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.0 mt -121.96 120.29 34.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.37 43.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -124.18 87.19 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.2 mt -120.55 132.49 55.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 82' ' ' LEU . 52.4 t -58.45 112.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.29 75.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 39.4 t -54.17 -52.25 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 82' ' ' LEU . 28.9 p -116.35 19.46 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 78' ' ' CYS . 7.2 mt 36.91 55.02 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.418 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . 21.6 mt-10 -140.74 138.77 34.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.85 171.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 62.3 m-85 -102.74 134.02 46.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -125.17 153.27 71.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.65 27.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -56.88 -31.37 64.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' GLU . 2.4 m-20 -116.56 110.54 18.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' ASP . 3.2 tp10 -35.91 141.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.47 121.09 38.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.93 109.82 3.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.1 mt -88.25 120.28 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -80.03 162.4 62.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.28 . . . . 0.0 112.316 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.0 p -104.61 33.07 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt 52.98 38.93 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.587 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 9.0 m170 -132.82 158.84 41.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.88 143.06 38.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 47.8 m-85 -150.05 163.19 38.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -67.27 133.59 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -39.74 -46.37 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 104' ' ' CYS . 30.9 mmtt -71.72 -67.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 103' ' ' LYS . 96.1 m -33.91 -48.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.96 -65.31 0.7 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.8 mt -39.99 -58.9 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -54.28 -51.44 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 72.0 t-105 -51.72 -39.29 58.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.15 -39.81 90.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -43.96 -47.85 8.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.454 ' CG2' ' N ' ' A' ' 112' ' ' ARG . 34.9 m -94.84 -52.5 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.454 ' N ' ' CG2' ' A' ' 111' ' ' VAL . 20.2 mtt180 -115.29 104.08 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -76.85 45.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.473 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 33.2 m -141.05 175.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.41 ' C ' ' H ' ' A' ' 117' ' ' LEU . 9.0 t -87.05 126.37 63.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.607 0.718 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 7.35 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.587 ' CD1' ' CD2' ' A' ' 98' ' ' HIS . 16.8 mt -117.46 -69.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.8 p -81.22 -22.04 39.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 62.3 47.91 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 74.8 mtp -117.09 146.68 38.6 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.6 0.715 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 109.4 2.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.746 2.297 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.5 p -130.58 83.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -101.1 120.93 40.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' A' ' 124' ' ' GLN . 4.4 pp0? -129.92 40.51 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.37 123.83 24.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -133.82 41.79 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -108.38 140.16 42.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.3 pp -169.47 156.83 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.0 p -89.06 -52.18 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 160.35 170.89 25.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 85.22 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.5 m -102.28 114.37 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 59.7 p -126.01 142.36 51.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.457 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.8 p -140.59 137.42 33.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.836 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 p -165.65 166.3 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.47 -150.19 20.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.534 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.5 p -80.73 125.13 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.5 p -75.34 -25.08 57.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.89 107.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -69.19 114.58 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -112.82 134.99 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -112.28 92.18 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -145.29 163.92 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mp -125.98 170.42 11.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 65.21 47.77 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mp -106.7 86.01 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.498 ' N ' HD11 ' A' ' 77' ' ' LEU . 14.7 m-70 -135.21 147.53 49.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' CD2' ' A' ' 85' ' ' PHE . 1.1 mp0 62.88 45.99 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD11 ' N ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -98.45 158.06 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' LEU . 45.5 t -59.38 111.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -13.72 35.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.52 -60.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.4 p -101.35 14.8 30.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' CYS . 8.3 mt 37.12 54.5 1.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -140.69 140.88 35.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -46.97 169.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 76' ' ' GLU . 46.7 m-85 -102.51 106.8 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -87.7 149.2 45.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -30.66 21.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -54.95 -36.76 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.83 139.39 34.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -53.73 -177.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.6 mt -149.92 115.87 5.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.77 108.19 3.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.6 mt -87.83 108.54 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.7 m -68.29 160.22 76.6 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.59 0.71 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 2.09 3.84 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.0 p -103.48 25.64 9.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 25.62 15.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 5.4 m170 -116.77 154.72 30.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -127.47 140.69 51.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 64.5 m-85 -150.8 159.88 44.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -63.34 126.18 26.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -49.56 -20.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 34.3 pttt -91.45 -40.24 11.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 85.8 m -70.45 -49.29 50.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 tp -53.39 -53.91 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.9 mt -48.36 -47.31 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -65.86 -56.2 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.466 ' CE2' ' HB3' ' A' ' 116' ' ' PRO . 57.0 t-105 -54.83 -29.77 55.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.92 -39.06 90.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.96 -59.62 5.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 19.5 m -59.23 -41.81 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' HG2' ' CG2' ' A' ' 114' ' ' VAL . 10.0 ttm180 -140.28 126.84 20.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.33 47.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.443 ' CG2' ' HG2' ' A' ' 112' ' ' ARG . 16.1 m -148.63 171.2 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 10.9 t -78.57 133.79 62.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.466 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.77 6.68 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.477 HD12 ' CD2' ' A' ' 98' ' ' HIS . 37.9 mt -124.53 -76.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 119' ' ' ASN . 26.6 p -70.69 -3.19 17.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 118' ' ' CYS . 4.4 p30 46.57 48.46 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.6 tpp -123.28 137.03 27.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 107.91 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.3 m -77.2 84.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.8 mt -85.37 90.26 7.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -102.73 142.15 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tt -74.94 84.84 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -101.02 50.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -100.38 124.15 45.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.2 mt -146.61 120.5 9.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 48.2 t -92.73 112.07 23.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -71.99 147.9 42.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -48.22 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.388 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 66.6 m -95.62 96.47 9.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.2 m -151.84 107.75 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.468 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.8 t -120.24 85.56 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.379 . . . . 0.0 110.882 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 m -104.7 101.45 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.56 -151.52 22.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.1 p -148.66 165.76 30.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -105.64 151.11 24.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.66 102.57 0.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -82.22 155.79 24.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.864 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' LYS . 35.0 m -35.78 120.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' CE ' HD11 ' A' ' 72' ' ' LEU . 25.5 pttm -174.52 160.5 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -129.8 99.78 5.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.404 HD11 ' CE ' ' A' ' 70' ' ' LYS . 30.3 mt -116.52 39.48 3.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.86 93.26 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 tt -97.5 95.06 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -154.99 164.6 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 61.63 39.63 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -125.41 144.85 50.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.01 166.3 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.2 -36.02 4.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.87 -52.82 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.2 p -98.72 -23.97 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.3 mt 62.21 52.18 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASP . 15.0 mm-40 -134.07 131.71 39.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -35.65 145.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -86.09 149.31 25.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -134.58 147.35 62.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.15 6.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -47.26 -38.67 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.32 124.89 44.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -44.07 156.32 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.1 mt -136.32 118.08 15.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.17 111.07 3.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.7 mp -87.59 121.16 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.43 157.35 75.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.666 0.746 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.56 2.7 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.1 p -110.37 32.28 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp 52.61 47.19 25.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.545 ' CD2' HD12 ' A' ' 117' ' ' LEU . 22.1 m170 -145.81 120.58 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.53 150.4 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 97.3 m-85 -150.32 165.47 32.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' ARG . 34.0 m80 -72.2 126.59 30.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' HIS . 2.5 mmp_? -37.14 -38.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -77.55 -58.66 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 65.6 m -42.9 -57.41 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -48.69 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.5 mt -39.89 -55.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -52.31 -48.16 65.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.48 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 67.3 t-105 -65.91 -31.13 71.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 43.5 mt -68.54 -38.81 81.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.85 -50.15 57.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 112' ' ' ARG . 28.0 m -75.62 -47.91 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.428 ' N ' HG23 ' A' ' 111' ' ' VAL . 21.7 ttt85 -148.37 130.75 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -84.29 68.12 10.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 3.3 m -147.12 165.58 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 45.8 t -81.29 127.19 74.63 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.753 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.571 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.4 Cg_endo -69.84 7.69 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 98' ' ' HIS . 15.0 mt -115.25 -66.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 19.8 p -85.98 -12.76 49.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 26.8 t30 64.66 32.18 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -105.83 134.05 19.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 111.95 2.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 123' ' ' LEU . 4.5 m -89.46 15.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.4 mp 32.93 52.54 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -67.97 -4.62 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tt -102.81 85.08 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.96 -42.75 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -151.54 154.67 36.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.36 110.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.6 p -107.1 -46.79 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.64 147.13 7.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 101.47 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 43.6 t -61.36 133.01 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 65.0 p -154.07 152.7 30.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 p -159.95 116.01 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.875 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.8 p -52.25 151.03 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.79 179.43 25.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 m -135.46 105.25 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 t -119.61 164.95 15.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.34 -169.37 25.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -79.53 115.49 19.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.2 t -97.63 89.55 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -130.82 41.96 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' HG3' ' CD2' ' A' ' 74' ' ' LEU . 0.2 OUTLIER -145.29 127.92 16.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.4 mp -89.77 -8.38 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -142.38 124.65 15.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.433 ' CD2' ' HG3' ' A' ' 71' ' ' GLU . 36.2 mt -128.19 39.32 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -73.93 -56.34 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -152.4 149.62 28.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -119.69 148.87 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.556 ' N ' ' CE2' ' A' ' 85' ' ' PHE . 13.4 t -53.23 166.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.06 -32.32 5.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.77 -53.84 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.6 -23.72 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.6 mt 66.04 46.64 2.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -129.14 137.2 51.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -41.81 147.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CE2' ' N ' ' A' ' 78' ' ' CYS . 33.3 m-85 -94.31 134.86 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -119.99 152.52 54.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -33.52 16.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -49.35 -40.15 34.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -95.17 133.24 39.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -60.15 133.62 56.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.56 125.83 51.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.91 120.35 6.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.47 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 94' ' ' CYS . 5.3 mp -89.73 139.28 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.764 0.316 . . . . 0.0 111.161 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.443 ' N ' HG22 ' A' ' 93' ' ' ILE . 1.7 m -104.19 161.68 22.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.574 0.702 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.68 4.26 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 p -111.21 29.93 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt 52.45 46.15 27.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -140.02 136.1 33.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.52 144.38 42.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -147.07 155.33 42.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' ARG . 35.9 m80 -57.6 125.97 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' HIS . 11.8 mmt180 -36.91 -39.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -77.07 -60.64 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.5 m -39.17 -53.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.1 tp -54.86 -56.17 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.6 mt -48.27 -48.21 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -63.26 -57.32 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.497 ' CE2' ' HB2' ' A' ' 112' ' ' ARG . 76.3 t-105 -47.42 -48.74 26.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.3 mt -50.16 -32.15 15.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.69 -62.58 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 112' ' ' ARG . 14.0 p -80.63 -50.38 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.497 ' HB2' ' CE2' ' A' ' 108' ' ' TRP . 7.5 mmm180 -114.53 108.64 17.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -81.02 43.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.489 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 28.7 m -147.21 175.94 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.46 ' C ' ' H ' ' A' ' 117' ' ' LEU . 42.5 t -73.3 125.25 90.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.658 0.742 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 12.78 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' A' ' 115' ' ' CYS . 15.5 mt -125.45 -57.4 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.453 ' O ' ' ND2' ' A' ' 119' ' ' ASN . 30.4 p -105.18 5.51 32.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 118' ' ' CYS . 1.0 OUTLIER 46.64 27.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.416 ' CB ' ' SG ' ' A' ' 118' ' ' CYS . 3.7 tpt -73.71 135.45 77.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.549 0.69 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.44 2.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.78 78.83 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -110.78 107.75 17.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.92 41.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 65.5 mt -132.04 85.38 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -129.71 -45.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -125.58 40.7 3.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 128' ' ' LEU . 6.1 mp -123.89 169.49 11.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.3 m -150.94 109.73 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.37 -157.41 24.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 3.32 2.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.3 m 69.14 42.6 1.21 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.2 p -69.58 129.97 41.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.2 t -164.37 140.04 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -42.93 -58.77 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.56 100.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -133.07 102.21 5.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.3 t -132.44 167.26 20.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.71 84.79 0.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -163.55 149.25 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.1 t -120.3 94.62 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -122.98 163.1 21.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -134.8 39.01 3.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.9 pp -174.83 122.34 0.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -113.93 43.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 tt -109.95 117.56 34.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -60.0 103.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -107.92 48.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mp -118.63 156.85 28.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.26 163.73 6.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.7 -37.17 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.18 -60.41 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.5 p -91.9 -26.67 18.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 mt 64.71 51.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' ASP . 65.5 mm-40 -126.93 126.07 42.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -36.76 112.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -46.45 139.88 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -127.55 145.62 55.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -41.0 4.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -47.3 -37.31 10.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -97.44 137.84 35.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.75 139.27 58.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.1 mt -122.96 131.07 53.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.84 113.57 4.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 99' ' ' ALA . 44.2 mm -85.41 110.79 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -66.65 161.87 56.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.95 2.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.747 2.298 . . . . 0.0 112.333 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 p -106.47 30.56 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt 50.9 43.53 28.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.514 ' CD2' HD13 ' A' ' 117' ' ' LEU . 4.5 m170 -129.34 147.74 51.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 93' ' ' ILE . . . -106.9 138.55 42.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 82.2 m-85 -150.31 156.94 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -77.71 134.02 38.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 106' ' ' ILE . 1.4 mmp_? -42.97 -33.63 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -83.77 -55.74 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.5 m -46.02 -54.88 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.5 tp -52.28 -54.13 35.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 102' ' ' ARG . 70.3 mt -54.17 -51.27 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -57.52 -44.94 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 116' ' ' PRO . 76.0 t-105 -62.57 -57.37 11.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.3 mt -37.05 -48.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -40.76 -59.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.51 -62.07 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 36.7 mtt85 -129.16 139.3 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.96 36.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.67 162.15 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 39.4 t -74.58 127.62 87.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.458 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 53.4 Cg_endo -69.8 6.76 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.514 HD13 ' CD2' ' A' ' 98' ' ' HIS . 29.0 mt -114.32 -69.57 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.3 p -81.57 -12.07 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 36.6 t30 60.44 44.58 11.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.3 ttt -125.73 136.72 28.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.712 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.431 ' HB2' ' CD2' ' A' ' 123' ' ' LEU . 54.2 Cg_endo -69.71 108.1 1.99 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.72 90.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 123' ' ' LEU . 4.2 mm? -92.01 83.19 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -149.99 113.68 5.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.08 87.92 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -108.99 -50.04 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -114.33 105.84 13.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -119.95 160.25 23.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -76.52 89.65 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 151.66 100.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.437 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 94.71 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 t -56.36 157.1 5.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.3 m -110.3 153.23 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.0 m -99.99 144.3 29.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLY . 9.2 t -87.6 42.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' SER . . . 38.0 55.27 1.89 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 m -101.94 42.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.4 p -117.2 42.23 2.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.78 -130.07 10.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' VAL . 38.1 mmtt -126.6 41.78 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' LYS . 32.8 m 37.16 40.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -102.56 41.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -156.39 106.99 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 tp -120.51 137.09 54.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -171.48 155.59 4.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.63 126.65 30.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -84.86 81.1 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -89.88 90.62 8.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 mt -134.38 140.65 46.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 53.6 t -50.9 120.9 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.49 19.29 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.3 -42.35 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 27.9 p -119.22 1.64 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.3 mt 53.76 55.04 8.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -141.55 140.22 33.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -54.43 157.16 2.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 28.1 m-85 -93.62 147.34 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -141.19 145.83 40.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -36.75 10.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.328 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -48.33 -38.09 18.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.76 175.38 6.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -83.92 157.09 22.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 85' ' ' PHE . 22.7 mt -153.23 136.5 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.27 106.27 2.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 77.2 mt -84.22 118.2 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.5 m -81.67 162.63 57.31 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.6 0.715 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 5.06 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.7 p -107.21 32.01 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm 52.62 41.71 31.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' CD2' HD13 ' A' ' 117' ' ' LEU . 10.3 m170 -133.64 149.73 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.19 138.7 53.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.545 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 68.6 m-85 -149.97 141.04 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -49.48 121.92 5.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -38.49 -40.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -71.67 -45.64 61.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 54.0 m -59.71 -56.07 26.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.3 tp -46.73 -54.93 8.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 68.6 mt -49.87 -60.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -42.81 61.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.429 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 71.9 t-105 -65.08 -38.49 90.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.425 ' O ' ' CD ' ' A' ' 113' ' ' LYS . 13.5 mt -64.54 -31.42 72.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.04 -60.32 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.32 -48.68 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -127.94 112.85 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 113' ' ' LYS . 3.7 mppt? -80.98 42.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.429 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 34.9 m -132.26 175.98 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.431 ' C ' ' H ' ' A' ' 117' ' ' LEU . 5.7 t -87.3 128.29 55.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 9.83 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 98' ' ' HIS . 18.9 mt -127.98 -57.87 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 119' ' ' ASN . 31.6 p -104.27 16.98 25.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 118' ' ' CYS . 2.1 p30 32.03 52.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 57.0 mtp -104.41 144.03 27.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 108.03 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 123' ' ' LEU . 59.7 t -111.21 143.17 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.446 ' N ' HG12 ' A' ' 122' ' ' VAL . 0.4 OUTLIER 74.02 54.98 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -79.43 45.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.5 74.78 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.5 60.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -141.66 119.4 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.2 mt -144.45 162.87 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.9 m -73.79 74.9 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 171.93 96.1 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.535 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 2.29 3.66 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.4 m -103.86 145.84 29.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.8 m -68.84 150.46 47.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -109.79 152.79 25.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m -93.0 169.03 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.62 -164.04 13.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -60.5 146.27 45.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.787 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.0 m -58.5 90.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.2 -140.09 7.32 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.56 83.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 p -130.29 112.46 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -120.83 41.7 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' O ' ' CD ' ' A' ' 71' ' ' GLU . 2.8 pp20? -92.23 121.66 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 pp -166.15 -177.69 4.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -115.89 154.68 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 mt -106.51 116.16 31.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -174.65 167.5 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.63 83.56 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.2 mt -151.46 148.63 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 50.4 t -58.51 125.34 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.33 19.69 7.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.5 t -110.88 -38.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.7 p -123.55 9.06 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt 48.24 55.02 9.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -142.17 168.08 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.75 148.26 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -75.83 157.59 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -144.49 152.44 53.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -34.99 13.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -49.29 -36.45 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -105.04 151.13 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.42 146.71 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -120.0 145.35 46.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.24 108.98 1.35 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.1 mt -85.89 116.98 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.51 162.2 69.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.37 2.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.8 p -104.95 32.46 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.76 46.08 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.575 ' CD2' HD13 ' A' ' 117' ' ' LEU . 14.0 m170 -144.13 141.79 30.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.31 142.97 45.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 98.8 m-85 -146.81 155.32 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 103' ' ' LYS . 29.5 m80 -58.2 122.88 14.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.491 ' O ' ' CD1' ' A' ' 106' ' ' ILE . 6.8 mmt85 -37.24 -31.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' HIS . 51.3 tttt -84.4 -60.47 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 88.4 m -43.41 -47.42 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.71 -54.49 45.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 102' ' ' ARG . 61.4 mt -52.61 -49.89 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -58.79 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' LEU . 60.1 t-105 -47.94 -54.74 11.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 108' ' ' TRP . 35.5 mt -34.38 -50.23 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -46.73 -65.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.54 -47.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -134.75 118.12 16.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.34 37.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.4 m -140.13 170.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.416 ' C ' ' H ' ' A' ' 117' ' ' LEU . 42.1 t -78.68 127.78 79.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 7.73 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' A' ' 98' ' ' HIS . 12.7 mt -117.07 -67.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 23.8 p -84.77 -25.35 28.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.87 38.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.06 136.62 22.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.692 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 108.25 2.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.22 88.17 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 tt -82.92 107.53 15.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -98.1 131.48 44.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' ALA . 26.8 tp -173.67 111.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' LEU . . . 37.34 39.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -28.76 63.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.43 ' N ' HD23 ' A' ' 128' ' ' LEU . 4.5 mm? -105.56 82.08 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.3 m -45.52 165.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 119.18 -155.68 15.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 160.56 49.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.641 2.227 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.3 m -110.92 123.59 50.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.7 t -74.62 143.52 44.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.1 m -130.74 159.83 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.3 p -79.24 111.62 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.57 99.84 2.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.5 p -140.38 112.85 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.889 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.8 p -58.45 176.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.17 116.65 0.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.62 134.67 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.7 p -125.25 140.82 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -59.64 93.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -83.98 88.25 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.7 tp -113.18 -9.48 13.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -80.37 85.22 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.9 mt -110.27 41.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -103.06 -44.66 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.29 124.01 17.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.3 mt -143.36 151.32 40.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.2 t -67.48 164.65 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.69 -30.01 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -75.04 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.6 p -87.1 -25.67 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mt 65.0 49.12 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -130.25 136.05 48.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -41.07 122.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.441 ' CD1' HD23 ' A' ' 91' ' ' LEU . 25.3 m-85 -51.62 163.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -144.26 144.84 27.16 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.23 9.45 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -46.63 -39.49 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.24 143.65 27.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -74.29 62.7 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 90' ' ' GLU . 68.3 mt -34.0 101.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.16 125.06 6.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.45 131.01 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.26 160.72 39.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.21 2.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.262 . . . . 0.0 112.317 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 p -112.2 35.93 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt 48.26 42.87 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.568 ' CD2' HD13 ' A' ' 117' ' ' LEU . 32.7 m170 -136.96 123.51 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.48 150.0 23.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.498 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 81.6 m-85 -150.79 161.29 42.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' ARG . 23.0 m80 -70.1 131.38 44.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' HIS . 12.7 mmm180 -37.18 -40.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -78.9 -64.49 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 84.8 m -37.36 -48.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.49 -63.63 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 53.8 mt -43.1 -56.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.99 -53.04 29.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.545 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 75.4 t-105 -57.4 -46.21 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -54.69 -39.11 67.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -55.57 -64.31 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.82 -53.51 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -127.05 129.89 48.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -88.73 43.83 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.545 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 33.8 m -135.11 173.98 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 30.1 t -89.44 129.66 46.49 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.725 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.498 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.6 Cg_endo -69.78 6.59 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 98' ' ' HIS . 15.9 mt -114.77 -72.22 0.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.3 p -78.07 -20.37 52.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 12.9 m-20 60.74 47.76 7.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.3 mmt -113.15 150.93 43.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.546 0.688 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 109.61 2.35 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.8 t -118.93 82.44 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.4 tt -85.32 118.48 24.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -104.88 99.4 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.99 -54.63 12.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.44 67.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.65 129.13 40.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.4 pp -152.12 172.3 16.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.7 m -48.18 -57.28 6.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.41 -172.21 15.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.478 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.9 Cg_endo -69.75 3.52 2.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 131' ' ' PRO . 58.6 m -31.48 -60.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 20.3 t -134.72 121.58 20.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.1 m 60.31 44.24 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.0 p -51.16 -46.48 62.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.22 107.68 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 m -77.08 151.21 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -66.89 -62.02 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.54 143.91 4.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 137.43 53.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.752 0.31 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.57 134.06 60.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -106.71 133.04 51.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.48 ' N ' ' OE2' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -156.31 130.5 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.7 mp -94.44 84.5 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -136.29 144.06 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.9 tp -86.2 138.67 31.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -151.74 170.44 19.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.64 96.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 mt -102.9 145.46 29.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 32.3 t -47.69 164.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.58 -34.73 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.8 t -66.53 -46.41 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.1 p -110.11 -26.08 9.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt 66.43 54.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -135.16 126.08 27.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -40.54 127.93 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -60.31 146.65 43.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -135.72 152.45 76.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -33.54 16.42 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.728 2.285 . . . . 0.0 112.328 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -52.59 -32.95 43.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -114.42 130.44 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -48.14 160.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.3 mt -136.69 110.83 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.33 106.05 3.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 61.4 mt -88.71 122.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.24 161.55 69.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.5 2.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.3 p -107.16 36.35 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt 51.25 35.26 13.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.544 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 6.1 m170 -123.83 148.53 46.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.18 144.43 49.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 56.7 m-85 -150.63 162.49 40.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -76.54 136.34 39.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -45.79 -32.93 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 13.7 ptpt -84.08 -36.23 23.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 30.7 m -65.98 -54.18 29.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.56 -66.89 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 98.0 mt -42.39 -55.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -57.52 -39.57 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.474 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 77.0 t-105 -65.45 -38.85 91.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 mt -60.63 -28.01 68.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -62.11 -62.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 112' ' ' ARG . 7.8 p -70.21 -45.57 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.484 ' N ' HG12 ' A' ' 111' ' ' VAL . 58.8 mtm-85 -136.28 119.85 17.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.23 35.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.444 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 27.5 m -129.98 173.85 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 117' ' ' LEU . 3.6 t -82.06 125.73 76.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.474 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.71 9.04 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.391 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 98' ' ' HIS . 92.6 mt -125.8 -52.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 119' ' ' ASN . 30.8 p -111.74 19.27 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 118' ' ' CYS . 2.0 p30 33.22 52.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.8 mmm -104.51 144.41 28.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 108.09 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.9 t -105.4 88.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.8 mt -109.87 89.57 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -134.13 31.84 3.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -76.75 0.4 20.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.17 -48.41 81.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.06 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -80.93 144.74 31.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.75 -48.0 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.8 p -118.57 174.22 6.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.64 111.99 3.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 114.43 3.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.7 p -94.33 79.12 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.8 m -157.78 122.04 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -42.5 164.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.74 -36.59 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.77 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.8 p -89.15 -27.97 20.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.6 mt 66.88 54.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -133.67 133.34 41.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -41.43 122.71 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -57.6 140.45 50.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -122.09 146.8 47.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -36.39 11.12 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.397 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -49.4 -40.37 35.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -95.02 142.54 27.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.76 148.26 51.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.9 mt -120.14 126.48 50.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.91 121.3 7.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.443 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.67 135.81 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.32 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.39 162.12 21.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.51 2.76 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.7 p -112.94 31.38 6.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt 49.83 42.84 24.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 100' ' ' PHE . 11.9 m-70 -137.19 121.64 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.5 144.09 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 98' ' ' HIS . 41.6 m-85 -144.68 167.8 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -67.8 130.43 42.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.672 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -42.79 -34.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -80.68 -52.79 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 69.7 m -50.77 -48.81 59.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.8 tp -60.9 -66.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 102' ' ' ARG . 59.7 mt -39.14 -49.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -65.64 -62.79 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.439 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 62.9 t-105 -46.29 -29.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 106' ' ' ILE . 30.5 mt -68.79 -35.18 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.88 -53.19 54.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.7 m -75.12 -33.24 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -147.97 107.29 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -75.9 48.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.439 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 20.3 m -143.68 166.7 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 20.9 t -82.71 126.37 73.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.43 2.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 117' ' ' LEU . 12.6 mt -110.87 -71.16 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.3 p -79.6 -29.19 41.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 73.06 43.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.43 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 3.1 ttt -105.54 141.24 22.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' A' ' 84' ' ' ASP . 23.9 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 52.6 t -44.16 124.73 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.66 20.57 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t -111.3 -41.69 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.7 p -117.37 -9.92 10.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.7 mt 61.25 49.33 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -138.29 125.54 21.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.564 ' HA ' HD22 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -40.8 142.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 36.1 m-85 -74.34 144.73 44.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -132.11 149.81 74.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.56 0.695 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -39.18 6.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.8 mtp180 -47.17 -39.76 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -99.74 128.21 45.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.26 139.29 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' A' ' 85' ' ' PHE . 42.8 mt -119.72 117.71 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.5 106.01 3.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.411 HG12 ' HB2' ' A' ' 99' ' ' ALA . 98.2 mt -83.79 138.84 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.2 m -99.35 158.02 32.97 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.589 0.709 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 6.09 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.3 p -111.7 28.67 8.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp 55.9 43.7 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.535 ' CE1' HD13 ' A' ' 117' ' ' LEU . 9.9 m-70 -141.52 124.08 15.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.411 ' HB2' HG12 ' A' ' 93' ' ' ILE . . . -106.42 150.01 26.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.508 ' HB2' HD13 ' A' ' 105' ' ' LEU . 89.6 m-85 -150.99 163.78 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 102' ' ' ARG . 43.2 m80 -73.87 128.57 35.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 101' ' ' HIS . 22.0 mmt85 -36.75 -45.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -70.63 -54.85 10.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.5 m -47.07 -52.18 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 100' ' ' PHE . 10.4 tp -56.49 -60.79 3.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 67.8 mt -44.71 -43.27 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -67.2 -54.52 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' LEU . 67.9 t-105 -53.79 -58.22 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' TRP . 56.2 mt -34.97 -54.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -40.43 -57.42 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.94 -48.49 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.652 ' HB3' HG22 ' A' ' 114' ' ' VAL . 29.5 mtt180 -149.62 128.17 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -76.7 47.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.652 HG22 ' HB3' ' A' ' 112' ' ' ARG . 31.6 m -139.4 176.11 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.3 t -89.08 128.38 51.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 4.62 2.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.535 HD13 ' CE1' ' A' ' 98' ' ' HIS . 14.3 mt -113.86 -71.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.5 p -79.57 -29.31 41.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 71.11 47.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.4 mmm -115.89 150.17 44.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.559 0.695 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.393 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 50.5 t -72.81 109.08 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.72 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.85 -54.2 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 82' ' ' LEU . 30.8 p -113.44 22.67 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 78' ' ' CYS . 6.8 mt 32.39 55.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -147.91 135.82 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.01 168.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 38.1 m-85 -97.88 147.76 24.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -118.53 148.08 43.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.573 0.701 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -37.58 8.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -48.59 -39.57 24.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.48 145.52 28.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -69.85 134.45 48.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 85' ' ' PHE . 20.3 mt -115.98 127.83 55.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.32 108.73 3.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.08 115.52 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.751 0.31 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.0 m -72.54 158.0 88.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.623 0.725 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.316 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.9 p -107.61 33.59 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 51.36 41.1 27.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 9.6 m-70 -139.5 128.11 23.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.47 147.1 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 85.8 m-85 -150.77 152.49 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -59.7 127.42 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -38.68 -36.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -79.23 -56.45 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -48.49 -36.67 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.3 tp -72.69 -62.41 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 53.7 mt -49.94 -36.72 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -76.69 -46.32 26.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.477 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 51.7 t-105 -58.83 -38.43 78.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.14 -24.96 65.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.74 -61.05 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.7 -32.3 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.566 ' HB3' HG22 ' A' ' 114' ' ' VAL . 53.2 mtt180 -151.26 110.02 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -76.14 47.79 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.566 HG22 ' HB3' ' A' ' 112' ' ' ARG . 33.9 m -136.74 176.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 38.1 t -91.26 126.4 54.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 6.43 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.487 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 17.1 mt -113.31 -68.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 12.6 p -83.55 -21.09 32.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 60.6 m-80 62.61 39.77 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.1 mmt -108.38 145.49 31.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 84' ' ' ASP . 5.5 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.7 t -50.61 153.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.02 -27.48 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.53 -54.1 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 p -104.94 8.29 34.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt 42.55 54.93 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -140.23 160.72 39.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.531 ' HA ' HD23 ' A' ' 77' ' ' LEU . 14.9 p-10 -70.38 151.58 45.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.441 ' CD1' HD22 ' A' ' 91' ' ' LEU . 65.3 m-85 -81.38 150.53 28.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -135.68 150.34 71.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -38.68 7.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -49.31 -35.89 19.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -106.55 114.12 28.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -42.79 120.17 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD22 ' CD1' ' A' ' 85' ' ' PHE . 25.9 mt -94.99 108.37 20.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.39 119.92 5.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 16.0 mm -95.38 113.83 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.79 0.328 . . . . 0.0 111.161 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -72.54 160.13 83.59 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.6 0.715 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.45 2.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.25 . . . . 0.0 112.399 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.1 p -106.33 29.21 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt 54.39 41.61 31.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.636 ' CE1' HD13 ' A' ' 117' ' ' LEU . 13.0 m-70 -132.93 143.4 49.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . . . -107.75 141.64 38.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 84.9 m-85 -150.46 157.07 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -73.41 127.97 34.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -38.58 -37.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -77.14 -51.94 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.9 m -50.74 -58.45 5.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.0 tp -49.51 -57.74 6.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 81.5 mt -45.81 -48.32 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -63.99 -55.12 24.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 77.2 t-105 -53.29 -33.26 52.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 76.6 mt -67.99 -37.52 81.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -55.51 -47.46 76.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.623 HG13 ' N ' ' A' ' 112' ' ' ARG . 11.1 p -83.07 -51.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.623 ' N ' HG13 ' A' ' 111' ' ' VAL . 65.5 mtt180 -128.67 122.2 30.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -82.81 45.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.529 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 29.3 m -141.37 171.52 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 42.2 t -82.37 127.36 71.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.524 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.3 Cg_endo -69.72 10.56 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.636 HD13 ' CE1' ' A' ' 98' ' ' HIS . 14.1 mt -120.56 -67.75 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.6 p -85.89 -9.85 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 2.8 m120 54.65 41.74 31.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.421 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 12.6 ttp -100.65 138.63 20.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.487 ' HA ' HG12 ' A' ' 114' ' ' VAL . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.805 0.336 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 31.3 t -55.06 163.76 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.87 -38.99 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.55 -62.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.19 -24.94 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.0 mt 63.25 54.59 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' ASP . 17.7 mt-10 -132.86 133.56 43.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.1 p-10 -36.88 130.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 78' ' ' CYS . 22.6 m-85 -78.77 147.57 33.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -137.03 143.2 41.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.718 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -38.34 7.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.98 -39.89 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.14 141.05 29.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.59 136.41 57.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.6 mt -131.99 152.51 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.22 118.39 3.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.44 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.19 140.67 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.6 156.95 35.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 5.11 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.5 p -114.02 31.53 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.3 41.23 32.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.487 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 6.8 m-70 -136.6 122.61 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.15 147.34 26.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.547 ' HB2' HD13 ' A' ' 105' ' ' LEU . 87.8 m-85 -146.28 167.95 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' ARG . 21.3 m80 -74.69 125.64 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' HIS . 26.0 mmm-85 -37.03 -42.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 104' ' ' CYS . 3.0 tppt? -74.57 -65.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' LYS . 89.0 m -36.98 -54.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 100' ' ' PHE . 10.7 tp -51.32 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 109' ' ' LEU . 76.2 mt -38.38 -55.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -54.29 -49.59 69.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.557 ' O ' HG22 ' A' ' 111' ' ' VAL . 55.3 t-105 -62.58 -64.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 106' ' ' ILE . 21.7 mt -30.76 -44.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -50.83 -65.28 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 108' ' ' TRP . 27.3 m -59.4 -32.52 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.63 ' HB3' HG22 ' A' ' 114' ' ' VAL . 58.7 mtt180 -157.11 115.11 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -75.64 48.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 112' ' ' ARG . 34.0 m -137.96 161.91 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 31.6 t -74.39 125.72 89.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.543 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.9 Cg_endo -69.74 5.71 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.517 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 12.6 mt -111.39 -70.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.6 p -79.43 -18.68 51.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 68.69 50.55 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.3 mmt -133.2 137.87 30.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.713 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.4 t -55.2 164.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.28 -19.17 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.3 t -86.13 -59.66 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.9 p -90.58 -17.14 27.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt 59.43 52.36 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' ASP . 69.4 mt-10 -133.72 133.49 41.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.8 m-20 -35.67 141.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.621 ' CD1' ' CD2' ' A' ' 91' ' ' LEU . 8.4 m-85 -75.29 154.07 37.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -131.95 141.24 40.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -40.57 5.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -50.31 -37.41 36.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.52 148.9 21.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.42 124.87 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.621 ' CD2' ' CD1' ' A' ' 85' ' ' PHE . 3.2 mp -100.66 115.37 30.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.57 104.49 0.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 99' ' ' ALA . 47.5 mt -83.86 99.07 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 111.132 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 33.4 m -64.79 157.8 72.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.732 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 4.29 2.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.4 p -104.91 21.85 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 62.2 48.93 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 100' ' ' PHE . 13.9 m-70 -148.62 125.43 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.46 ' HB2' HG12 ' A' ' 93' ' ' ILE . . . -106.8 146.76 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.559 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 44.1 m-85 -147.87 155.23 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 102' ' ' ARG . 32.0 m80 -58.08 121.97 11.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' HIS . 8.0 mmt180 -38.39 -34.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -78.55 -59.85 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.2 m -44.09 -62.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.465 ' HG ' HD11 ' A' ' 109' ' ' LEU . 14.4 tp -40.58 -63.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 72.7 mt -37.16 -53.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -57.44 -52.5 65.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.438 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 76.4 t-105 -57.7 -33.46 68.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.465 HD11 ' HG ' ' A' ' 105' ' ' LEU . 26.3 mt -75.01 -39.56 61.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -49.38 -34.07 15.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 112' ' ' ARG . 12.6 p -103.08 -49.15 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.591 ' HB3' HG22 ' A' ' 114' ' ' VAL . 73.9 mtt180 -128.54 112.63 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -78.22 46.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.591 HG22 ' HB3' ' A' ' 112' ' ' ARG . 34.5 m -132.24 176.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.5 t -93.24 124.82 56.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.438 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.3 Cg_endo -69.77 6.1 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.559 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 17.0 mt -113.15 -69.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.1 p -80.87 -20.93 41.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 48.0 t30 60.92 52.47 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 17.3 ptm -120.93 143.9 37.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.663 2.242 . . . . 0.0 112.409 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.72 166.32 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.27 -40.51 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.89 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 13.4 p -107.21 -21.78 12.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.9 mt 61.81 53.75 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -136.59 136.95 39.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.38 147.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.819 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.486 ' CD1' HD22 ' A' ' 91' ' ' LEU . 45.3 m-85 -87.73 95.15 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 86' ' ' LYS . 4.4 mptp? -76.65 156.86 82.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.37 2.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -48.29 -38.78 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -91.03 133.88 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.94 142.17 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 85' ' ' PHE . 12.7 mt -117.25 115.22 24.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.73 108.1 3.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 70.7 mt -84.11 109.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.4 m -68.15 160.53 74.41 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 4.19 2.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.284 . . . . 0.0 112.348 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.4 p -107.18 35.69 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 48.43 44.9 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.562 ' CE1' HD13 ' A' ' 117' ' ' LEU . 23.6 m-70 -140.55 143.18 35.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.16 142.08 45.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.465 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 96.5 m-85 -149.16 149.52 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -61.25 134.69 57.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -40.41 -47.5 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 104' ' ' CYS . 17.3 mmmt -71.44 -64.26 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 103' ' ' LYS . 85.3 m -37.19 -44.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.76 -63.89 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.3 mt -43.53 -47.21 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -67.17 -56.76 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.464 ' CZ2' ' HB3' ' A' ' 116' ' ' PRO . 53.4 t-105 -49.49 -36.32 22.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.4 -37.24 74.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -53.37 -60.38 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.2 p -71.69 -49.75 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.936 ' HG2' HG22 ' A' ' 114' ' ' VAL . 3.4 ttm180 -127.12 114.75 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.21 46.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.936 HG22 ' HG2' ' A' ' 112' ' ' ARG . 5.4 m -148.96 168.84 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.1 t -76.95 125.61 86.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.464 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 53.5 Cg_endo -69.77 5.95 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 98' ' ' HIS . 13.6 mt -112.79 -69.17 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.7 p -83.03 -27.74 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 74.59 38.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.3 ttt -103.15 136.86 19.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.517 0.675 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.34 0.131 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.78 0.324 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 41.9 t -60.56 110.46 1.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.593 ' O ' HD12 ' A' ' 82' ' ' LEU . . . -69.39 -22.84 63.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.418 HG11 ' HB3' ' A' ' 104' ' ' CYS . 23.0 t -61.44 -46.3 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.94 -1.59 12.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 79' ' ' ALA . 7.9 mp 56.63 54.17 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -138.33 165.89 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.33 162.26 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 37.6 m-85 -96.38 125.45 40.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -116.73 146.24 37.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -39.43 6.67 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.733 2.288 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -48.6 -37.36 17.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -100.2 116.51 32.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.51 141.95 4.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 101' ' ' HIS . 86.8 mt -132.04 132.24 43.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.3 118.76 5.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.454 HG13 ' HB2' ' A' ' 99' ' ' ALA . 4.8 mp -88.62 136.33 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 m -101.39 160.17 27.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.21 2.91 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.631 2.221 . . . . 0.0 112.332 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.79 25.76 11.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.38 49.77 14.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 9.0 m-70 -149.01 122.92 9.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB2' HG13 ' A' ' 93' ' ' ILE . . . -112.09 148.38 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 98' ' ' HIS . 21.1 m-85 -147.33 140.16 24.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.673 ' HA ' HD23 ' A' ' 91' ' ' LEU . 96.6 m-70 -40.06 125.96 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -39.78 -38.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 19.3 ptmt -74.78 -50.26 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 57.7 m -52.79 -53.88 42.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ILE . 14.7 tp -53.45 -64.95 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 105' ' ' LEU . 57.2 mt -37.68 -52.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -60.8 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.572 ' CE2' ' CB ' ' A' ' 112' ' ' ARG . 63.3 t-105 -47.67 -31.05 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.05 -38.99 79.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -44.57 -50.89 9.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 112' ' ' ARG . 33.8 m -104.9 -52.32 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.621 ' N ' HG23 ' A' ' 111' ' ' VAL . 21.2 mmt180 -90.33 94.86 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -81.7 39.87 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.1 m -149.0 175.47 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 4.7 t -82.04 124.36 78.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 8.66 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.3 mt -118.28 -66.64 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.7 p -85.19 -13.65 49.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 45.5 t30 60.03 47.6 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 21.3 mmt -113.57 154.11 45.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.691 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.874 0.369 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 85' ' ' PHE . 22.6 t -43.93 164.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.77 -34.86 6.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.7 t -71.26 -62.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.5 p -87.33 -23.44 24.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.9 mt 65.35 53.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -135.04 143.94 47.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -50.17 115.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 78' ' ' CYS . 44.8 m-85 -51.42 164.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -137.68 142.64 37.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.529 0.68 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -37.17 9.64 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -46.23 -39.65 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -81.58 160.76 23.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' LEU . 20.4 mt-10 -87.5 62.13 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' GLU . 34.5 mt -37.51 109.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.78 115.43 4.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.43 136.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 77.0 m -97.27 156.15 36.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.711 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 4.48 2.17 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 20.2 p -111.85 25.41 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mttt 59.41 38.4 22.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 5.6 m-70 -134.85 127.85 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.22 150.55 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.68 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 66.6 m-85 -150.7 163.62 38.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 104' ' ' CYS . 19.8 m80 -68.3 132.22 46.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -37.96 -42.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 104' ' ' CYS . 26.6 tptt -78.3 -66.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' LYS . 88.0 m -33.58 -58.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -47.49 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.756 ' HA ' HD12 ' A' ' 109' ' ' LEU . 72.6 mt -41.57 -55.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -50.49 -47.66 57.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.559 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 71.7 t-105 -62.89 -46.0 89.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 106' ' ' ILE . 27.3 mt -52.37 -36.94 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.78 -61.46 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 112' ' ' ARG . 30.1 m -62.52 -43.71 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.495 ' HG2' HG22 ' A' ' 114' ' ' VAL . 11.4 ttm180 -143.72 124.04 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -79.23 45.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.495 HG22 ' HG2' ' A' ' 112' ' ' ARG . 5.1 m -138.82 168.68 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 28.7 t -82.57 125.85 75.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.559 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.1 Cg_endo -69.85 7.27 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.68 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 16.0 mt -112.9 -66.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.0 p -85.16 -15.23 44.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 15.3 m-80 60.34 42.99 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.7 ttt -112.08 133.34 21.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.757 2.305 . . . . 0.0 112.333 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.622 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.81 0.338 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 85' ' ' PHE . 19.5 t -44.93 165.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.68 -26.44 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.3 t -84.61 -59.37 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.0 p -89.02 -24.31 22.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.7 mt 63.34 52.84 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 84' ' ' ASP . 14.4 mt-10 -133.21 135.56 45.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 83' ' ' GLU . 32.0 m-20 -38.13 127.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 78' ' ' CYS . 13.6 m-85 -72.21 146.24 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -134.12 144.87 53.25 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -37.48 9.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -47.82 -39.21 17.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.46 131.17 37.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -58.13 123.98 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.44 159.98 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.62 107.25 0.86 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.1 mt -84.95 121.34 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.788 0.327 . . . . 0.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.35 161.51 54.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.57 3.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.338 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.2 p -103.26 26.89 7.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.31 42.42 31.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 35.1 m-70 -140.32 128.3 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.32 144.22 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 54.3 m-85 -147.76 141.28 25.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 103' ' ' LYS . 44.7 m80 -49.91 123.44 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.483 ' O ' HD12 ' A' ' 106' ' ' ILE . 0.7 OUTLIER -37.09 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' HIS . 52.4 mtmt -82.85 -55.05 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 67.5 m -47.75 -51.41 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.8 tp -55.15 -59.8 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 102' ' ' ARG . 71.4 mt -48.44 -48.39 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -60.12 -55.17 37.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -53.12 -49.46 66.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -40.95 -54.77 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -38.77 -43.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.402 HG12 ' HG3' ' A' ' 112' ' ' ARG . 73.6 t -77.79 -66.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.402 ' HG3' HG12 ' A' ' 111' ' ' VAL . 79.9 mtt180 -118.6 139.23 51.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -92.27 39.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.3 m -142.67 167.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 117' ' ' LEU . 50.2 t -74.15 128.45 86.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 11.32 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.349 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.456 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 39.2 mt -121.82 -62.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.2 -14.12 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 21.3 m-20 60.59 41.3 15.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.2 136.28 21.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 84' ' ' ASP . 12.3 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.886 0.374 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 17.2 t -43.89 165.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.23 -35.33 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.6 t -68.29 -45.68 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 19.0 p -107.29 -18.37 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 mt 55.57 52.3 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' ASP . 15.8 mt-10 -131.32 127.83 38.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.507 ' HA ' HD23 ' A' ' 77' ' ' LEU . 3.2 m-20 -36.61 123.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.433 ' CD1' HD22 ' A' ' 91' ' ' LEU . 41.6 m-85 -53.66 137.91 36.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -123.57 144.96 45.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -30.46 22.22 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -52.12 -40.02 60.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.48 159.11 15.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 10.7 tp10 -85.41 94.8 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 85' ' ' PHE . 12.8 mt -69.1 103.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.95 113.76 3.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.3 mm -85.07 135.22 25.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.59 162.27 28.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.8 2.54 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.396 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 p -108.47 27.44 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt 58.58 29.78 18.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 117' ' ' LEU . 12.2 m170 -114.07 159.94 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.1 136.26 54.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 93.5 m-85 -148.88 150.02 32.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.429 ' HD2' HD23 ' A' ' 91' ' ' LEU . 37.9 m80 -72.11 134.93 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 101' ' ' HIS . 10.5 mtp180 -36.1 -55.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' CYS . 6.0 tptp -64.25 -63.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' LYS . 58.8 m -36.38 -47.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 106' ' ' ILE . 13.4 tp -68.41 -69.48 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' LEU . 91.4 mt -36.71 -49.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -65.12 -58.21 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -46.84 -55.85 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.7 mt -39.7 -46.58 1.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -48.32 -56.12 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.36 -58.52 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.511 ' HB3' HG22 ' A' ' 114' ' ' VAL . 51.3 mtt180 -126.64 122.02 33.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -79.35 46.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' A' ' 112' ' ' ARG . 27.2 m -143.65 174.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 3.7 t -87.46 124.77 67.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.731 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 9.69 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 98' ' ' HIS . 12.1 mt -124.0 -51.79 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.72 15.09 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 11.2 t-20 38.61 41.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.439 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 14.6 ttt -91.98 139.73 24.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 84' ' ' ASP . 15.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 82' ' ' LEU . 52.4 t -58.45 112.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.29 75.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 104' ' ' CYS . 39.4 t -54.17 -52.25 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 83' ' ' GLU . 28.9 p -116.35 19.46 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 78' ' ' CYS . 7.2 mt 36.91 55.02 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . 21.6 mt-10 -140.74 138.77 34.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -51.85 171.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 62.3 m-85 -102.74 134.02 46.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -125.17 153.27 71.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.65 27.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -56.88 -31.37 64.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' GLU . 2.4 m-20 -116.56 110.54 18.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' ASP . 3.2 tp10 -35.91 141.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.47 121.09 38.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.93 109.82 3.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.479 HG12 ' HB2' ' A' ' 99' ' ' ALA . 44.1 mt -88.25 120.28 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -80.03 162.4 62.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.28 . . . . 0.0 112.316 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.0 p -104.61 33.07 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt 52.98 38.93 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.683 ' CE1' HD13 ' A' ' 117' ' ' LEU . 8.4 m-70 -132.82 158.84 41.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.479 ' HB2' HG12 ' A' ' 93' ' ' ILE . . . -138.88 143.06 38.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.462 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 47.8 m-85 -150.05 163.19 38.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -67.27 133.59 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -39.74 -46.37 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 104' ' ' CYS . 30.9 mmtt -71.72 -67.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 103' ' ' LYS . 96.1 m -33.91 -48.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.96 -65.31 0.7 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.8 mt -39.99 -58.9 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -54.28 -51.44 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 72.0 t-105 -51.72 -39.29 58.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.15 -39.81 90.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -43.96 -47.85 8.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.63 HG23 ' N ' ' A' ' 112' ' ' ARG . 34.9 m -94.84 -52.5 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.63 ' N ' HG23 ' A' ' 111' ' ' VAL . 20.2 mtt180 -115.29 104.08 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -76.85 45.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.473 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 33.2 m -141.05 175.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.0 t -87.05 126.37 63.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.607 0.718 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 7.35 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.683 HD13 ' CE1' ' A' ' 98' ' ' HIS . 16.8 mt -117.46 -69.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.8 p -81.22 -22.04 39.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 62.3 47.91 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 74.8 mtp -117.09 146.68 38.6 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.6 0.715 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.746 2.297 . . . . 0.0 112.324 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.633 HD22 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' LEU . 45.5 t -59.38 111.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -13.72 35.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.52 -60.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.4 p -101.35 14.8 30.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' CYS . 8.3 mt 37.12 54.5 1.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -140.69 140.88 35.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -46.97 169.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -102.51 106.8 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -87.7 149.2 45.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -30.66 21.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -54.95 -36.76 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.83 139.39 34.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.619 ' O ' HD23 ' A' ' 91' ' ' LEU . 4.9 mp0 -53.73 -177.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 90' ' ' GLU . 41.6 mt -149.92 115.87 5.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.77 108.19 3.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.6 mt -87.83 108.54 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.7 m -68.29 160.22 76.6 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.59 0.71 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 2.09 3.84 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.0 p -103.48 25.64 9.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 25.62 15.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 5.4 m170 -116.77 154.72 30.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -127.47 140.69 51.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 64.5 m-85 -150.8 159.88 44.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -63.34 126.18 26.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.488 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.2 mmp_? -49.56 -20.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 34.3 pttt -91.45 -40.24 11.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 85.8 m -70.45 -49.29 50.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 tp -53.39 -53.91 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 102' ' ' ARG . 86.9 mt -48.36 -47.31 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -65.86 -56.2 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' A' ' 116' ' ' PRO . 57.0 t-105 -54.83 -29.77 55.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 109' ' ' LEU . 14.5 mt -65.92 -39.06 90.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.96 -59.62 5.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 112' ' ' ARG . 19.5 m -59.23 -41.81 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.856 ' HG2' HG22 ' A' ' 114' ' ' VAL . 10.0 ttm180 -140.28 126.84 20.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HE2' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -84.33 47.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.856 HG22 ' HG2' ' A' ' 112' ' ' ARG . 16.1 m -148.63 171.2 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 10.9 t -78.57 133.79 62.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.45 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.77 6.68 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.53 -76.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 119' ' ' ASN . 26.6 p -70.69 -3.19 17.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 118' ' ' CYS . 4.4 p30 46.57 48.46 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.6 tpp -123.28 137.03 27.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.01 166.3 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.454 ' HA ' HD23 ' A' ' 82' ' ' LEU . . . -116.2 -36.02 4.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.87 -52.82 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.2 p -98.72 -23.97 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 79' ' ' ALA . 16.3 mt 62.21 52.18 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASP . 15.0 mm-40 -134.07 131.71 39.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -35.65 145.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -86.09 149.31 25.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -134.58 147.35 62.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.15 6.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -47.26 -38.67 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.32 124.89 44.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -44.07 156.32 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.1 mt -136.32 118.08 15.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.17 111.07 3.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.7 mp -87.59 121.16 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.43 157.35 75.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.666 0.746 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.56 2.7 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.1 p -110.37 32.28 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp 52.61 47.19 25.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.475 ' ND1' HD13 ' A' ' 117' ' ' LEU . 34.2 m-70 -145.81 120.58 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.53 150.4 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 97.3 m-85 -150.32 165.47 32.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' ARG . 34.0 m80 -72.2 126.59 30.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.461 ' O ' HD12 ' A' ' 106' ' ' ILE . 2.5 mmp_? -37.14 -38.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -77.55 -58.66 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 65.6 m -42.9 -57.41 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -48.69 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.572 ' HA ' HD12 ' A' ' 109' ' ' LEU . 58.5 mt -39.89 -55.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -52.31 -48.16 65.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.48 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 67.3 t-105 -65.91 -31.13 71.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 106' ' ' ILE . 43.5 mt -68.54 -38.81 81.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.85 -50.15 57.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 112' ' ' ARG . 28.0 m -75.62 -47.91 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.536 ' N ' HG23 ' A' ' 111' ' ' VAL . 21.7 ttt85 -148.37 130.75 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.499 ' HA ' HD23 ' A' ' 109' ' ' LEU . 3.2 mptp? -84.29 68.12 10.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 3.3 m -147.12 165.58 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.445 ' HG ' ' HE2' ' A' ' 100' ' ' PHE . 45.8 t -81.29 127.19 74.63 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.753 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.597 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.4 Cg_endo -69.84 7.69 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.475 HD13 ' ND1' ' A' ' 98' ' ' HIS . 15.0 mt -115.25 -66.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 19.8 p -85.98 -12.76 49.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 26.8 t30 64.66 32.18 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -105.83 134.05 19.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.556 ' N ' ' CE2' ' A' ' 85' ' ' PHE . 13.4 t -53.23 166.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.06 -32.32 5.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.77 -53.84 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.6 -23.72 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.6 mt 66.04 46.64 2.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -129.14 137.2 51.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -41.81 147.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CE2' ' N ' ' A' ' 78' ' ' CYS . 33.3 m-85 -94.31 134.86 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -119.99 152.52 54.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -33.52 16.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -49.35 -40.15 34.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -95.17 133.24 39.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 8.4 tt0 -60.15 133.62 56.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.56 125.83 51.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.91 120.35 6.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.47 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.73 139.28 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.764 0.316 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.19 161.68 22.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.574 0.702 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.68 4.26 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 p -111.21 29.93 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt 52.45 46.15 27.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 17.7 m170 -140.02 136.1 33.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.52 144.38 42.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.69 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 94.1 m-85 -147.07 155.33 42.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' ARG . 35.9 m80 -57.6 125.97 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' HIS . 11.8 mmt180 -36.91 -39.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -77.07 -60.64 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.5 m -39.17 -53.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.1 tp -54.86 -56.17 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.6 mt -48.27 -48.21 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -63.26 -57.32 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 112' ' ' ARG . 76.3 t-105 -47.42 -48.74 26.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.3 mt -50.16 -32.15 15.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.69 -62.58 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 112' ' ' ARG . 14.0 p -80.63 -50.38 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.605 ' N ' HG13 ' A' ' 111' ' ' VAL . 7.5 mmm180 -114.53 108.64 17.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -81.02 43.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.489 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 28.7 m -147.21 175.94 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 42.5 t -73.3 125.25 90.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.658 0.742 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.401 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.5 Cg_endo -69.75 12.78 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.69 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 15.5 mt -125.45 -57.4 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.453 ' O ' ' ND2' ' A' ' 119' ' ' ASN . 30.4 p -105.18 5.51 32.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 118' ' ' CYS . 1.0 OUTLIER 46.64 27.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.416 ' CB ' ' SG ' ' A' ' 118' ' ' CYS . 3.7 tpt -73.71 135.45 77.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.549 0.69 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.808 0.337 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.26 163.73 6.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.7 -37.17 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.18 -60.41 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.5 p -91.9 -26.67 18.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 mt 64.71 51.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' ASP . 65.5 mm-40 -126.93 126.07 42.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -36.76 112.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -46.45 139.88 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -127.55 145.62 55.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -41.0 4.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -47.3 -37.31 10.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -97.44 137.84 35.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.75 139.27 58.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.1 mt -122.96 131.07 53.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.84 113.57 4.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 99' ' ' ALA . 44.2 mm -85.41 110.79 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -66.65 161.87 56.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.95 2.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.747 2.298 . . . . 0.0 112.333 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 p -106.47 30.56 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt 50.9 43.53 28.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.5 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 4.6 m-70 -129.34 147.74 51.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.613 ' HA ' HD13 ' A' ' 93' ' ' ILE . . . -106.9 138.55 42.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.733 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 82.2 m-85 -150.31 156.94 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -77.71 134.02 38.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.529 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.4 mmp_? -42.97 -33.63 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -83.77 -55.74 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.5 m -46.02 -54.88 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.455 HD23 ' NH2' ' A' ' 102' ' ' ARG . 19.5 tp -52.28 -54.13 35.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 102' ' ' ARG . 70.3 mt -54.17 -51.27 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -57.52 -44.94 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.447 ' CE2' ' HB3' ' A' ' 116' ' ' PRO . 76.0 t-105 -62.57 -57.37 11.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 106' ' ' ILE . 44.3 mt -37.05 -48.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -40.76 -59.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.51 -62.07 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.621 ' HB3' HG22 ' A' ' 114' ' ' VAL . 36.7 mtt85 -129.16 139.3 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.96 36.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.621 HG22 ' HB3' ' A' ' 112' ' ' ARG . 35.0 m -131.67 162.15 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 39.4 t -74.58 127.62 87.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.447 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 53.4 Cg_endo -69.8 6.76 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.733 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 29.0 mt -114.32 -69.57 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.3 p -81.57 -12.07 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 36.6 t30 60.44 44.58 11.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.3 ttt -125.73 136.72 28.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.712 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 53.6 t -50.9 120.9 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.49 19.29 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.3 -42.35 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 27.9 p -119.22 1.64 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.3 mt 53.76 55.04 8.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -141.55 140.22 33.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -54.43 157.16 2.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 28.1 m-85 -93.62 147.34 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -141.19 145.83 40.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -36.75 10.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.328 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -48.33 -38.09 18.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.76 175.38 6.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.404 ' C ' ' HG ' ' A' ' 91' ' ' LEU . 19.2 pt-20 -83.92 157.09 22.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 85' ' ' PHE . 22.7 mt -153.23 136.5 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.27 106.27 2.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 77.2 mt -84.22 118.2 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.5 m -81.67 162.63 57.31 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.6 0.715 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 5.06 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.7 p -107.21 32.01 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm 52.62 41.71 31.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 10.3 m170 -133.64 149.73 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.19 138.7 53.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.561 ' HZ ' HD12 ' A' ' 117' ' ' LEU . 68.6 m-85 -149.97 141.04 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -49.48 121.92 5.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -38.49 -40.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -71.67 -45.64 61.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 54.0 m -59.71 -56.07 26.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 100' ' ' PHE . 12.3 tp -46.73 -54.93 8.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.634 ' HA ' HD12 ' A' ' 109' ' ' LEU . 68.6 mt -49.87 -60.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -42.81 61.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.422 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 71.9 t-105 -65.08 -38.49 90.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 106' ' ' ILE . 13.5 mt -64.54 -31.42 72.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.04 -60.32 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.1 p -76.32 -48.68 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.543 ' N ' HG13 ' A' ' 111' ' ' VAL . 20.0 mtm180 -127.94 112.85 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 113' ' ' LYS . 3.7 mppt? -80.98 42.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.465 HG22 ' HB3' ' A' ' 112' ' ' ARG . 34.9 m -132.26 175.98 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 5.7 t -87.3 128.29 55.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 9.83 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.561 HD12 ' HZ ' ' A' ' 100' ' ' PHE . 18.9 mt -127.98 -57.87 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 119' ' ' ASN . 31.6 p -104.27 16.98 25.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 118' ' ' CYS . 8.9 p-10 32.03 52.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 57.0 mtp -104.41 144.03 27.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.362 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 50.4 t -58.51 125.34 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.33 19.69 7.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 104' ' ' CYS . 58.5 t -110.88 -38.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.7 p -123.55 9.06 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt 48.24 55.02 9.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -142.17 168.08 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.75 148.26 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -75.83 157.59 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -144.49 152.44 53.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -34.99 13.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -49.29 -36.45 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -105.04 151.13 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.42 146.71 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -120.0 145.35 46.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.24 108.98 1.35 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.1 mt -85.89 116.98 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.51 162.2 69.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.37 2.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.8 p -104.95 32.46 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.76 46.08 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 14.0 m170 -144.13 141.79 30.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.31 142.97 45.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 98.8 m-85 -146.81 155.32 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 103' ' ' LYS . 29.5 m80 -58.2 122.88 14.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.564 ' O ' HD12 ' A' ' 106' ' ' ILE . 6.8 mmt85 -37.24 -31.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' HIS . 51.3 tttt -84.4 -60.47 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.481 ' HB3' HG11 ' A' ' 80' ' ' VAL . 88.4 m -43.41 -47.42 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.71 -54.49 45.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 102' ' ' ARG . 61.4 mt -52.61 -49.89 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -58.79 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' LEU . 60.1 t-105 -47.94 -54.74 11.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 106' ' ' ILE . 35.5 mt -34.38 -50.23 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -46.73 -65.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.54 -47.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -134.75 118.12 16.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.34 37.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 121' ' ' PRO . 34.4 m -140.13 170.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.68 127.78 79.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 7.73 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.7 mt -117.07 -67.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 23.8 p -84.77 -25.35 28.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.87 38.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.06 136.62 22.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.692 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.595 ' HA ' HG12 ' A' ' 114' ' ' VAL . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.851 0.358 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.2 t -67.48 164.65 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.69 -30.01 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -75.04 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.6 p -87.1 -25.67 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mt 65.0 49.12 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -130.25 136.05 48.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -41.07 122.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -51.62 163.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -144.26 144.84 27.16 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.23 9.45 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -46.63 -39.49 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.24 143.65 27.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -74.29 62.7 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 90' ' ' GLU . 68.3 mt -34.0 101.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.16 125.06 6.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.45 131.01 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.26 160.72 39.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.21 2.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.262 . . . . 0.0 112.317 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 p -112.2 35.93 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt 48.26 42.87 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.49 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 8.7 m-70 -136.96 123.51 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.48 150.0 23.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.523 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 81.6 m-85 -150.79 161.29 42.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' ARG . 23.0 m80 -70.1 131.38 44.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' HIS . 12.7 mmm180 -37.18 -40.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -78.9 -64.49 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 84.8 m -37.36 -48.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.49 -63.63 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 53.8 mt -43.1 -56.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.99 -53.04 29.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.545 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 75.4 t-105 -57.4 -46.21 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -54.69 -39.11 67.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -55.57 -64.31 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.601 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.4 p -64.82 -53.51 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.601 ' N ' HG13 ' A' ' 111' ' ' VAL . 23.2 mtm180 -127.05 129.89 48.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -88.73 43.83 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.545 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 33.8 m -135.11 173.98 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 30.1 t -89.44 129.66 46.49 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.725 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.523 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.6 Cg_endo -69.78 6.59 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.455 HD13 ' ND1' ' A' ' 98' ' ' HIS . 15.9 mt -114.77 -72.22 0.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.3 p -78.07 -20.37 52.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 12.9 m-20 60.74 47.76 7.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.3 mmt -113.15 150.93 43.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.546 0.688 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 32.3 t -47.69 164.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.864 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -115.58 -34.73 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.8 t -66.53 -46.41 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.1 p -110.11 -26.08 9.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt 66.43 54.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -135.16 126.08 27.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -40.54 127.93 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.766 ' HD2' HD22 ' A' ' 91' ' ' LEU . 93.8 m-85 -60.31 146.65 43.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -135.72 152.45 76.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -33.54 16.42 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.728 2.285 . . . . 0.0 112.328 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -52.59 -32.95 43.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -114.42 130.44 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.8 mm-40 -48.14 160.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.766 HD22 ' HD2' ' A' ' 85' ' ' PHE . 42.3 mt -136.69 110.83 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.33 106.05 3.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 61.4 mt -88.71 122.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.24 161.55 69.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.5 2.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.3 p -107.16 36.35 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt 51.25 35.26 13.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 4.1 m-70 -123.83 148.53 46.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.18 144.43 49.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 56.7 m-85 -150.63 162.49 40.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -76.54 136.34 39.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -45.79 -32.93 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 13.7 ptpt -84.08 -36.23 23.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 30.7 m -65.98 -54.18 29.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.56 -66.89 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.58 ' HA ' HD12 ' A' ' 109' ' ' LEU . 98.0 mt -42.39 -55.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -57.52 -39.57 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.471 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 77.0 t-105 -65.45 -38.85 91.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 106' ' ' ILE . 32.3 mt -60.63 -28.01 68.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -62.11 -62.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.8 p -70.21 -45.57 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.499 ' N ' HG13 ' A' ' 111' ' ' VAL . 58.8 mtm-85 -136.28 119.85 17.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.23 35.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 112' ' ' ARG . 27.5 m -129.98 173.85 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 3.6 t -82.06 125.73 76.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.471 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.71 9.04 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.391 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.864 HD21 ' HB2' ' A' ' 79' ' ' ALA . 92.6 mt -125.8 -52.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 119' ' ' ASN . 30.8 p -111.74 19.27 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 118' ' ' CYS . 7.4 p-10 33.22 52.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.8 mmm -104.51 144.41 28.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 t -125.07 130.13 51.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.936 0.398 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.2 p -152.61 126.1 8.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 152.31 40.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.437 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -45.87 105.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 t -162.7 152.24 15.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.41 166.34 34.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.58 122.63 27.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 69' ' ' VAL . 12.7 p -116.77 127.74 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -127.2 88.77 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 72' ' ' LEU . 6.5 tp10 -132.2 98.88 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 71' ' ' GLU . 46.9 mt -34.57 129.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -77.63 143.12 38.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mt -141.49 162.49 35.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.15 39.32 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 77' ' ' LEU . 5.9 tp10 -145.24 113.7 6.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 76' ' ' GLU . 8.9 mt -140.77 134.0 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -42.5 164.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.74 -36.59 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.77 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.8 p -89.15 -27.97 20.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.6 mt 66.88 54.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -133.67 133.34 41.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -41.43 122.71 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -57.6 140.45 50.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -122.09 146.8 47.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -36.39 11.12 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.397 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -49.4 -40.37 35.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -95.02 142.54 27.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.76 148.26 51.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.9 mt -120.14 126.48 50.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.91 121.3 7.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.443 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.67 135.81 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.32 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.39 162.12 21.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.51 2.76 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.7 p -112.94 31.38 6.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt 49.83 42.84 24.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 100' ' ' PHE . 32.8 m170 -137.19 121.64 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.5 144.09 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 98' ' ' HIS . 41.6 m-85 -144.68 167.8 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -67.8 130.43 42.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.672 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -42.79 -34.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -80.68 -52.79 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 69.7 m -50.77 -48.81 59.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.8 tp -60.9 -66.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 102' ' ' ARG . 59.7 mt -39.14 -49.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -65.64 -62.79 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.439 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 62.9 t-105 -46.29 -29.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 106' ' ' ILE . 30.5 mt -68.79 -35.18 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.88 -53.19 54.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.7 m -75.12 -33.24 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -147.97 107.29 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -75.9 48.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.439 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 20.3 m -143.68 166.7 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 20.9 t -82.71 126.37 73.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.43 2.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 117' ' ' LEU . 12.6 mt -110.87 -71.16 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.3 p -79.6 -29.19 41.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 73.06 43.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.43 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 3.1 ttt -105.54 141.24 22.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.9 Cg_endo -69.75 108.36 2.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.9 t -111.82 84.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.0 mp -105.54 -47.87 3.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -121.18 137.84 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.07 102.92 5.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.45 87.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -52.97 144.14 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.7 mt -87.33 86.13 7.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.0 m -89.57 -57.31 2.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -144.31 165.47 27.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 7.99 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.6 m -77.75 51.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.7 t -140.01 127.1 20.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.0 m -149.68 149.51 30.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.376 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 t -161.47 170.7 19.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.9 109.15 1.96 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -140.56 108.89 5.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -112.86 124.58 52.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.49 77.54 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -83.12 111.16 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 69' ' ' VAL . 10.3 p -69.65 115.59 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -172.58 153.29 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -66.6 118.77 10.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.3 mt -105.81 123.86 48.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -87.19 162.3 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.16 126.05 35.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -132.62 177.76 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.06 97.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' A' ' 84' ' ' ASP . 23.9 mt -92.26 136.59 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 52.6 t -44.16 124.73 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.66 20.57 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t -111.3 -41.69 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.7 p -117.37 -9.92 10.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.7 mt 61.25 49.33 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -138.29 125.54 21.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.564 ' HA ' HD22 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -40.8 142.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 36.1 m-85 -74.34 144.73 44.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -132.11 149.81 74.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.56 0.695 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -39.18 6.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.8 mtp180 -47.17 -39.76 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -99.74 128.21 45.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.26 139.29 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' A' ' 85' ' ' PHE . 42.8 mt -119.72 117.71 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.5 106.01 3.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.411 HG12 ' HB2' ' A' ' 99' ' ' ALA . 98.2 mt -83.79 138.84 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.2 m -99.35 158.02 32.97 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.589 0.709 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 6.09 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.3 p -111.7 28.67 8.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp 55.9 43.7 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.63 ' CD2' HD13 ' A' ' 117' ' ' LEU . 21.0 m170 -141.52 124.08 15.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.411 ' HB2' HG12 ' A' ' 93' ' ' ILE . . . -106.42 150.01 26.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.508 ' HB2' HD13 ' A' ' 105' ' ' LEU . 89.6 m-85 -150.99 163.78 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 102' ' ' ARG . 43.2 m80 -73.87 128.57 35.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 101' ' ' HIS . 22.0 mmt85 -36.75 -45.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -70.63 -54.85 10.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.5 m -47.07 -52.18 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 100' ' ' PHE . 10.4 tp -56.49 -60.79 3.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 67.8 mt -44.71 -43.27 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -67.2 -54.52 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' LEU . 67.9 t-105 -53.79 -58.22 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' TRP . 56.2 mt -34.97 -54.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -40.43 -57.42 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.94 -48.49 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.652 ' HB3' HG22 ' A' ' 114' ' ' VAL . 29.5 mtt180 -149.62 128.17 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -76.7 47.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.652 HG22 ' HB3' ' A' ' 112' ' ' ARG . 31.6 m -139.4 176.11 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.3 t -89.08 128.38 51.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 4.62 2.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.63 HD13 ' CD2' ' A' ' 98' ' ' HIS . 14.3 mt -113.86 -71.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.5 p -79.57 -29.31 41.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 71.11 47.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.4 mmm -115.89 150.17 44.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.559 0.695 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 111.51 2.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.393 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.1 p -144.09 132.28 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -132.46 -58.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -67.82 104.05 1.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.6 mt -75.18 96.78 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.03 -44.98 64.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.425 ' O ' HD23 ' A' ' 128' ' ' LEU . 33.5 mt-30 61.66 39.56 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 127' ' ' GLN . 25.1 mt -128.11 81.92 2.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.9 p -61.41 157.8 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 167.66 90.8 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -177.3 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -46.79 159.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.1 m -51.99 -61.33 2.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.54 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.9 p -78.02 96.08 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -73.0 -32.32 65.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.64 43.5 3.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 t -95.52 143.95 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.8 p -139.5 167.77 21.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.11 86.8 1.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -125.66 91.49 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.95 139.16 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.21 135.86 57.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -140.76 125.28 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 72' ' ' LEU . 4.4 pp -47.18 165.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -161.16 147.05 14.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.4 mt -92.95 166.41 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -54.4 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -140.7 133.02 28.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mt -110.39 152.41 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 50.5 t -72.81 109.08 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.72 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.85 -54.2 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 82' ' ' LEU . 30.8 p -113.44 22.67 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 78' ' ' CYS . 6.8 mt 32.39 55.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -147.91 135.82 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.01 168.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 38.1 m-85 -97.88 147.76 24.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -118.53 148.08 43.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.573 0.701 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -37.58 8.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -48.59 -39.57 24.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.48 145.52 28.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -69.85 134.45 48.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 85' ' ' PHE . 20.3 mt -115.98 127.83 55.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.32 108.73 3.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.08 115.52 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.751 0.31 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.0 m -72.54 158.0 88.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.623 0.725 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.316 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.9 p -107.61 33.59 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 51.36 41.1 27.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.684 ' CD2' HD13 ' A' ' 117' ' ' LEU . 29.5 m170 -139.5 128.11 23.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.47 147.1 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 85.8 m-85 -150.77 152.49 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -59.7 127.42 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -38.68 -36.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -79.23 -56.45 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -48.49 -36.67 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.3 tp -72.69 -62.41 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 53.7 mt -49.94 -36.72 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -76.69 -46.32 26.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.477 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 51.7 t-105 -58.83 -38.43 78.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.14 -24.96 65.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.74 -61.05 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.7 -32.3 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.566 ' HB3' HG22 ' A' ' 114' ' ' VAL . 53.2 mtt180 -151.26 110.02 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -76.14 47.79 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.566 HG22 ' HB3' ' A' ' 112' ' ' ARG . 33.9 m -136.74 176.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 38.1 t -91.26 126.4 54.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 6.43 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.684 HD13 ' CD2' ' A' ' 98' ' ' HIS . 17.1 mt -113.31 -68.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 12.6 p -83.55 -21.09 32.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 60.6 m-80 62.61 39.77 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.1 mmt -108.38 145.49 31.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 111.73 2.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.1 p -147.66 133.89 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mp -127.8 141.96 51.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -125.18 79.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.765 HD12 ' HB3' ' A' ' 127' ' ' GLN . 0.4 OUTLIER -61.56 134.08 56.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.713 ' N ' HD13 ' A' ' 125' ' ' LEU . . . -77.74 45.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.765 ' HB3' HD12 ' A' ' 125' ' ' LEU . 23.0 pt20 -117.67 163.07 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.0 mt -85.34 94.42 8.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.5 m -134.75 134.41 40.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -91.44 175.16 38.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 116.42 4.55 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.737 2.291 . . . . 0.0 112.331 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.1 p -156.78 136.92 12.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.5 t -45.46 -56.54 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.7 p -126.2 125.53 42.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.5 p -150.11 135.64 18.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.34 71.64 0.99 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -155.95 162.94 40.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 t -47.93 133.48 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.28 -41.02 12.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -86.36 87.64 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 74.6 t -142.97 120.31 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -149.46 105.35 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -167.66 123.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.99 96.51 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -160.98 115.17 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.1 mt -55.26 175.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -86.31 81.5 8.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.89 40.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 84' ' ' ASP . 5.5 mt -146.06 136.27 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.7 t -50.61 153.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.02 -27.48 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.53 -54.1 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 p -104.94 8.29 34.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt 42.55 54.93 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -140.23 160.72 39.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.531 ' HA ' HD23 ' A' ' 77' ' ' LEU . 14.9 p-10 -70.38 151.58 45.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.441 ' CD1' HD22 ' A' ' 91' ' ' LEU . 65.3 m-85 -81.38 150.53 28.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -135.68 150.34 71.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -38.68 7.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -49.31 -35.89 19.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -106.55 114.12 28.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -42.79 120.17 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD22 ' CD1' ' A' ' 85' ' ' PHE . 25.9 mt -94.99 108.37 20.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.39 119.92 5.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 16.0 mm -95.38 113.83 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.79 0.328 . . . . 0.0 111.161 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -72.54 160.13 83.59 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.6 0.715 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.45 2.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.25 . . . . 0.0 112.399 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.1 p -106.33 29.21 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt 54.39 41.61 31.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.693 ' CD2' HD13 ' A' ' 117' ' ' LEU . 5.1 m80 -132.93 143.4 49.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . . . -107.75 141.64 38.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 84.9 m-85 -150.46 157.07 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -73.41 127.97 34.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -38.58 -37.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -77.14 -51.94 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.9 m -50.74 -58.45 5.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.0 tp -49.51 -57.74 6.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 81.5 mt -45.81 -48.32 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -63.99 -55.12 24.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 77.2 t-105 -53.29 -33.26 52.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 76.6 mt -67.99 -37.52 81.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -55.51 -47.46 76.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.623 HG13 ' N ' ' A' ' 112' ' ' ARG . 11.1 p -83.07 -51.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.623 ' N ' HG13 ' A' ' 111' ' ' VAL . 65.5 mtt180 -128.67 122.2 30.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -82.81 45.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.529 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 29.3 m -141.37 171.52 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 42.2 t -82.37 127.36 71.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.524 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.3 Cg_endo -69.72 10.56 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.693 HD13 ' CD2' ' A' ' 98' ' ' HIS . 14.1 mt -120.56 -67.75 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.6 p -85.89 -9.85 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 2.8 m120 54.65 41.74 31.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.421 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 12.6 ttp -100.65 138.63 20.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.487 ' HA ' HG12 ' A' ' 114' ' ' VAL . 53.1 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.06 103.37 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -115.83 107.32 14.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -133.71 139.2 46.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.62 42.9 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.77 -42.7 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.56 126.14 35.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.641 HD12 ' HB2' ' A' ' 129' ' ' SER . 4.1 pp -124.27 -42.32 2.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.641 ' HB2' HD12 ' A' ' 128' ' ' LEU . 22.7 t -140.4 119.38 12.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -95.58 156.87 21.66 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -46.98 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.314 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.6 t -94.36 121.06 35.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.8 m -124.64 136.38 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -100.45 139.48 36.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.6 t -138.58 161.45 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.18 168.31 41.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.3 t -144.1 154.04 42.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.9 p -160.9 157.55 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.1 -163.07 18.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 68' ' ' LYS . 1.3 mppt? -105.56 143.14 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 69' ' ' VAL . 28.0 m -132.38 116.47 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt 37.24 45.29 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -93.15 124.78 37.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.81 138.96 58.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -107.16 83.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 tt -102.06 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.473 ' O ' ' C ' ' A' ' 76' ' ' GLU . 40.7 m80 -64.62 105.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 75' ' ' HIS . 18.4 mt-10 -31.61 108.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 mp -98.04 162.78 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 31.3 t -55.06 163.76 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.87 -38.99 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.55 -62.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.19 -24.94 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.0 mt 63.25 54.59 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' ASP . 17.7 mt-10 -132.86 133.56 43.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.1 p-10 -36.88 130.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 78' ' ' CYS . 22.6 m-85 -78.77 147.57 33.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -137.03 143.2 41.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.718 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -38.34 7.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.98 -39.89 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.14 141.05 29.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.59 136.41 57.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.6 mt -131.99 152.51 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.22 118.39 3.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.44 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.19 140.67 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.6 156.95 35.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 5.11 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.5 p -114.02 31.53 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.3 41.23 32.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.487 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 38.1 m170 -136.6 122.61 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.15 147.34 26.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.547 ' HB2' HD13 ' A' ' 105' ' ' LEU . 87.8 m-85 -146.28 167.95 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' ARG . 21.3 m80 -74.69 125.64 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' HIS . 26.0 mmm-85 -37.03 -42.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 104' ' ' CYS . 3.0 tppt? -74.57 -65.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' LYS . 89.0 m -36.98 -54.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 100' ' ' PHE . 10.7 tp -51.32 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 109' ' ' LEU . 76.2 mt -38.38 -55.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -54.29 -49.59 69.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.557 ' O ' HG22 ' A' ' 111' ' ' VAL . 55.3 t-105 -62.58 -64.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 106' ' ' ILE . 21.7 mt -30.76 -44.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -50.83 -65.28 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 108' ' ' TRP . 27.3 m -59.4 -32.52 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.63 ' HB3' HG22 ' A' ' 114' ' ' VAL . 58.7 mtt180 -157.11 115.11 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -75.64 48.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 112' ' ' ARG . 34.0 m -137.96 161.91 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 31.6 t -74.39 125.72 89.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.543 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.9 Cg_endo -69.74 5.71 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.517 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 12.6 mt -111.39 -70.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.6 p -79.43 -18.68 51.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 68.69 50.55 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.3 mmt -133.2 137.87 30.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.713 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 112.85 3.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' A' ' 123' ' ' LEU . 10.9 m -82.5 18.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 122' ' ' VAL . 44.3 mt 32.13 54.63 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.531 ' O ' ' NE2' ' A' ' 124' ' ' GLN . 1.7 pp0? -79.08 45.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 30.0 mt -117.02 -35.9 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.0 38.68 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -123.14 151.47 42.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.3 mt -123.3 127.55 48.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.5 t -70.66 -52.34 21.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 81.4 146.15 5.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.98 2.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.5 m -51.24 138.69 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.3 p -164.56 155.06 14.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.432 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 t -89.46 111.96 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -66.22 103.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 166.76 81.77 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -168.87 114.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.7 m -88.4 176.34 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.26 107.29 0.44 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -160.36 174.72 13.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -91.32 174.04 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -131.09 95.23 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -103.98 44.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.7 mt -91.69 -7.67 49.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -118.44 164.48 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 mp -123.84 133.33 53.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -141.97 109.82 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -142.91 -174.96 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mt -141.04 148.84 40.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.4 t -55.2 164.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.28 -19.17 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.3 t -86.13 -59.66 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.9 p -90.58 -17.14 27.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt 59.43 52.36 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' ASP . 69.4 mt-10 -133.72 133.49 41.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.8 m-20 -35.67 141.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.621 ' CD1' ' CD2' ' A' ' 91' ' ' LEU . 8.4 m-85 -75.29 154.07 37.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -131.95 141.24 40.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -40.57 5.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -50.31 -37.41 36.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.52 148.9 21.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.42 124.87 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.621 ' CD2' ' CD1' ' A' ' 85' ' ' PHE . 3.2 mp -100.66 115.37 30.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.57 104.49 0.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 99' ' ' ALA . 47.5 mt -83.86 99.07 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 111.132 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 33.4 m -64.79 157.8 72.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.732 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 4.29 2.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.4 p -104.91 21.85 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.6 mmpt? 62.2 48.93 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 100' ' ' PHE . 33.9 m170 -148.62 125.43 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.46 ' HB2' HG12 ' A' ' 93' ' ' ILE . . . -106.8 146.76 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.559 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 44.1 m-85 -147.87 155.23 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 102' ' ' ARG . 32.0 m80 -58.08 121.97 11.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' HIS . 8.0 mmt180 -38.39 -34.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -78.55 -59.85 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.2 m -44.09 -62.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.465 ' HG ' HD11 ' A' ' 109' ' ' LEU . 14.4 tp -40.58 -63.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 72.7 mt -37.16 -53.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -57.44 -52.5 65.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.438 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 76.4 t-105 -57.7 -33.46 68.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.465 HD11 ' HG ' ' A' ' 105' ' ' LEU . 26.3 mt -75.01 -39.56 61.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -49.38 -34.07 15.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 112' ' ' ARG . 12.6 p -103.08 -49.15 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.591 ' HB3' HG22 ' A' ' 114' ' ' VAL . 73.9 mtt180 -128.54 112.63 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.505 ' HD2' HD11 ' A' ' 123' ' ' LEU . 21.8 mtmm -78.22 46.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.591 HG22 ' HB3' ' A' ' 112' ' ' ARG . 34.5 m -132.24 176.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.5 t -93.24 124.82 56.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.438 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.3 Cg_endo -69.77 6.1 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.559 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 17.0 mt -113.15 -69.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.1 p -80.87 -20.93 41.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 48.0 t30 60.92 52.47 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 17.3 ptm -120.93 143.9 37.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 109.13 2.23 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.663 2.242 . . . . 0.0 112.409 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.06 112.18 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.505 HD11 ' HD2' ' A' ' 113' ' ' LYS . 3.9 mm? -101.36 130.34 47.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 125' ' ' LEU . 4.2 pt20 -42.02 154.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 125' ' ' LEU . 1.6 pp -35.01 128.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 127' ' ' GLN . . . -115.47 -43.84 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 126' ' ' ALA . 12.9 mm100 -36.65 145.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 128' ' ' LEU . 4.1 pp -129.74 161.71 30.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.4 p -68.22 -44.59 75.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 132.13 -175.72 19.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.15 31.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' SER . 84.7 p -152.61 105.46 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 132' ' ' SER . 2.7 m -34.6 -47.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p -138.79 109.65 6.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.3 m -133.65 123.83 25.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.68 56.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.1 p -113.72 110.91 20.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.836 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.6 m -120.99 143.35 49.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.61 133.16 7.68 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -100.17 100.66 11.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.3 134.97 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 71' ' ' GLU . 10.5 mttp -125.7 51.92 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 70' ' ' LYS . 77.3 mt-10 33.61 49.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.9 41.89 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.05 82.29 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mt -126.68 42.55 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -118.33 -54.55 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.523 ' CD ' ' HB3' ' A' ' 99' ' ' ALA . 16.1 tt0 -129.12 118.98 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt -122.24 157.19 32.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.72 166.32 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.27 -40.51 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.89 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 13.4 p -107.21 -21.78 12.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.9 mt 61.81 53.75 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -136.59 136.95 39.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.38 147.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.819 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.486 ' CD1' HD22 ' A' ' 91' ' ' LEU . 45.3 m-85 -87.73 95.15 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 86' ' ' LYS . 4.4 mptp? -76.65 156.86 82.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.37 2.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -48.29 -38.78 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -91.03 133.88 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.94 142.17 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 85' ' ' PHE . 12.7 mt -117.25 115.22 24.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.73 108.1 3.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 70.7 mt -84.11 109.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.4 m -68.15 160.53 74.41 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 4.19 2.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.284 . . . . 0.0 112.348 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.4 p -107.18 35.69 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 48.43 44.9 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.715 ' CD2' HD13 ' A' ' 117' ' ' LEU . 9.9 m80 -140.55 143.18 35.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HB3' ' CD ' ' A' ' 76' ' ' GLU . . . -112.16 142.08 45.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.465 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 96.5 m-85 -149.16 149.52 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -61.25 134.69 57.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -40.41 -47.5 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 104' ' ' CYS . 17.3 mmmt -71.44 -64.26 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 103' ' ' LYS . 85.3 m -37.19 -44.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.76 -63.89 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.3 mt -43.53 -47.21 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -67.17 -56.76 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.464 ' CZ2' ' HB3' ' A' ' 116' ' ' PRO . 53.4 t-105 -49.49 -36.32 22.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.4 -37.24 74.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -53.37 -60.38 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.2 p -71.69 -49.75 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.936 ' HG2' HG22 ' A' ' 114' ' ' VAL . 3.4 ttm180 -127.12 114.75 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.21 46.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.936 HG22 ' HG2' ' A' ' 112' ' ' ARG . 5.4 m -148.96 168.84 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.1 t -76.95 125.61 86.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.464 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 53.5 Cg_endo -69.77 5.95 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.715 HD13 ' CD2' ' A' ' 98' ' ' HIS . 13.6 mt -112.79 -69.17 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.7 p -83.03 -27.74 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 74.59 38.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.3 ttt -103.15 136.86 19.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.517 0.675 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 108.2 2.04 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 42.9 t -88.35 106.84 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.78 40.64 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -76.91 90.98 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 31.3 tp -109.66 81.67 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.6 -44.99 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -42.26 122.24 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.84 -44.16 4.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.3 m -147.25 164.74 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 88.94 85.24 1.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -39.16 6.85 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 97.6 p -74.42 161.22 30.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.7 p -117.44 89.79 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.4 p -87.29 155.55 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.4 p -139.42 165.58 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 166.12 45.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 p -135.15 171.99 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.1 p -46.69 152.23 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.34 89.84 1.62 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -125.66 138.69 53.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 p -168.74 138.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.164 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -121.89 151.57 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.52 166.62 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 72' ' ' LEU . 1.3 tt 39.92 41.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -104.86 94.44 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.2 tp -84.69 58.69 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.3 m80 53.7 48.15 22.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.18 41.22 1.12 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mt -143.97 147.6 34.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 41.9 t -60.56 110.46 1.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.593 ' O ' HD12 ' A' ' 82' ' ' LEU . . . -69.39 -22.84 63.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.418 HG11 ' HB3' ' A' ' 104' ' ' CYS . 23.0 t -61.44 -46.3 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.94 -1.59 12.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 79' ' ' ALA . 7.9 mp 56.63 54.17 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -138.33 165.89 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.33 162.26 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 37.6 m-85 -96.38 125.45 40.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -116.73 146.24 37.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -39.43 6.67 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.733 2.288 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -48.6 -37.36 17.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -100.2 116.51 32.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.51 141.95 4.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 101' ' ' HIS . 86.8 mt -132.04 132.24 43.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.3 118.76 5.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.454 HG13 ' HB2' ' A' ' 99' ' ' ALA . 4.8 mp -88.62 136.33 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 m -101.39 160.17 27.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.21 2.91 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.631 2.221 . . . . 0.0 112.332 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.79 25.76 11.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 0.0 OUTLIER 56.38 49.77 14.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 97' ' ' LYS . 35.7 m170 -149.01 122.92 9.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB2' HG13 ' A' ' 93' ' ' ILE . . . -112.09 148.38 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 98' ' ' HIS . 21.1 m-85 -147.33 140.16 24.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.673 ' HA ' HD23 ' A' ' 91' ' ' LEU . 44.8 m80 -40.06 125.96 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -39.78 -38.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 19.3 ptmt -74.78 -50.26 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 57.7 m -52.79 -53.88 42.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ILE . 14.7 tp -53.45 -64.95 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 105' ' ' LEU . 57.2 mt -37.68 -52.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -60.8 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.572 ' CE2' ' CB ' ' A' ' 112' ' ' ARG . 63.3 t-105 -47.67 -31.05 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.05 -38.99 79.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -44.57 -50.89 9.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 112' ' ' ARG . 33.8 m -104.9 -52.32 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.621 ' N ' HG23 ' A' ' 111' ' ' VAL . 21.2 mmt180 -90.33 94.86 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.777 ' HE3' HD13 ' A' ' 123' ' ' LEU . 10.7 tttp -81.7 39.87 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.1 m -149.0 175.47 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 4.7 t -82.04 124.36 78.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 8.66 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' ' 98' ' ' HIS . 13.3 mt -118.28 -66.64 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.7 p -85.19 -13.65 49.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 45.5 t30 60.03 47.6 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 21.3 mmt -113.57 154.11 45.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.691 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 108.87 2.17 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.43 110.43 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.777 HD13 ' HE3' ' A' ' 113' ' ' LYS . 24.5 tp -133.43 93.64 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -118.95 81.63 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.6 tp -152.33 122.83 7.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -122.8 39.67 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 42.35 42.5 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 mp -56.54 -55.11 37.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.8 p -167.65 155.23 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -134.38 -125.24 2.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.8 Cg_endo -69.69 1.41 4.41 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.716 2.278 . . . . 0.0 112.356 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 131' ' ' PRO . 40.7 t -33.99 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 51.4 p -74.93 173.91 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 t -141.41 150.89 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.3 m -107.99 85.55 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.43 -159.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -112.85 165.65 12.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -142.74 133.12 24.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.92 118.94 0.49 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -126.9 114.49 17.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -57.08 136.26 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -115.28 155.53 27.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.19 83.75 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -150.02 169.75 20.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -126.43 161.62 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.637 HD21 ' O ' ' A' ' 76' ' ' GLU . 64.8 tp -162.97 151.51 14.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -105.21 -40.07 5.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.637 ' O ' HD21 ' A' ' 74' ' ' LEU . 50.4 mm-40 -98.86 109.01 21.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.834 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -96.19 150.82 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 85' ' ' PHE . 22.6 t -43.93 164.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.77 -34.86 6.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.7 t -71.26 -62.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.5 p -87.33 -23.44 24.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.9 mt 65.35 53.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -135.04 143.94 47.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -50.17 115.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 78' ' ' CYS . 44.8 m-85 -51.42 164.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -137.68 142.64 37.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.529 0.68 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -37.17 9.64 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -46.23 -39.65 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -81.58 160.76 23.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' LEU . 20.4 mt-10 -87.5 62.13 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' GLU . 34.5 mt -37.51 109.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.78 115.43 4.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.43 136.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 77.0 m -97.27 156.15 36.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.711 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 4.48 2.17 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 20.2 p -111.85 25.41 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mttt 59.41 38.4 22.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 44.7 m170 -134.85 127.85 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.22 150.55 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.68 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 66.6 m-85 -150.7 163.62 38.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 104' ' ' CYS . 19.8 m80 -68.3 132.22 46.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -37.96 -42.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 104' ' ' CYS . 26.6 tptt -78.3 -66.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' LYS . 88.0 m -33.58 -58.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -47.49 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.756 ' HA ' HD12 ' A' ' 109' ' ' LEU . 72.6 mt -41.57 -55.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -50.49 -47.66 57.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.559 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 71.7 t-105 -62.89 -46.0 89.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 106' ' ' ILE . 27.3 mt -52.37 -36.94 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.78 -61.46 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 112' ' ' ARG . 30.1 m -62.52 -43.71 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.495 ' HG2' HG22 ' A' ' 114' ' ' VAL . 11.4 ttm180 -143.72 124.04 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -79.23 45.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.495 HG22 ' HG2' ' A' ' 112' ' ' ARG . 5.1 m -138.82 168.68 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 28.7 t -82.57 125.85 75.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.559 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.1 Cg_endo -69.85 7.27 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.68 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 16.0 mt -112.9 -66.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.0 p -85.16 -15.23 44.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 15.3 m-80 60.34 42.99 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.7 ttt -112.08 133.34 21.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 108.63 2.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.757 2.305 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 29.2 t -91.69 139.34 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.5 mt -129.84 80.87 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -174.03 120.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 126' ' ' ALA . 10.9 mp -110.95 102.97 11.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 125' ' ' LEU . . . 36.03 42.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -134.7 93.55 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.2 mp -80.66 81.91 6.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.5 t -58.64 -53.75 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 139.25 133.88 3.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 1.41 4.42 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.37 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.1 t -132.99 139.69 47.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.3 m -96.12 42.09 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.8 p -55.21 114.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.2 t -116.26 107.21 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.59 60.19 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -111.69 43.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -63.0 151.56 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.52 43.75 94.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -128.94 91.23 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.3 t -129.18 83.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -119.45 118.82 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -113.97 40.8 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.98 157.98 20.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -116.46 91.15 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.0 tp -133.72 -59.87 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -77.37 146.12 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -98.09 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.854 HD22 ' H ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -91.19 145.97 24.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 85' ' ' PHE . 19.5 t -44.93 165.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.68 -26.44 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.3 t -84.61 -59.37 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.0 p -89.02 -24.31 22.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.7 mt 63.34 52.84 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 84' ' ' ASP . 14.4 mt-10 -133.21 135.56 45.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 83' ' ' GLU . 32.0 m-20 -38.13 127.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 78' ' ' CYS . 13.6 m-85 -72.21 146.24 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -134.12 144.87 53.25 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -37.48 9.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -47.82 -39.21 17.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.46 131.17 37.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -58.13 123.98 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.44 159.98 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.62 107.25 0.86 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.1 mt -84.95 121.34 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.788 0.327 . . . . 0.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.35 161.51 54.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.57 3.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.338 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.2 p -103.26 26.89 7.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.31 42.42 31.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 23.0 m170 -140.32 128.3 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.32 144.22 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 54.3 m-85 -147.76 141.28 25.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 103' ' ' LYS . 44.7 m80 -49.91 123.44 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.483 ' O ' HD12 ' A' ' 106' ' ' ILE . 0.7 OUTLIER -37.09 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' HIS . 52.4 mtmt -82.85 -55.05 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 67.5 m -47.75 -51.41 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.8 tp -55.15 -59.8 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 102' ' ' ARG . 71.4 mt -48.44 -48.39 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -60.12 -55.17 37.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -53.12 -49.46 66.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -40.95 -54.77 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -38.77 -43.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.402 HG12 ' HG3' ' A' ' 112' ' ' ARG . 73.6 t -77.79 -66.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.402 ' HG3' HG12 ' A' ' 111' ' ' VAL . 79.9 mtt180 -118.6 139.23 51.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -92.27 39.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.3 m -142.67 167.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 117' ' ' LEU . 50.2 t -74.15 128.45 86.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 11.32 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.349 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 98' ' ' HIS . 39.2 mt -121.82 -62.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.2 -14.12 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 21.3 m-20 60.59 41.3 15.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.2 136.28 21.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 107.96 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.54 122.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.51 125.16 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -83.19 122.5 28.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.2 tp -77.39 111.63 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.27 -51.49 13.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -53.52 145.81 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.21 152.32 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.7 m -132.91 91.22 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.94 122.32 0.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 115.26 4.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 89.9 p 41.66 42.89 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.6 t -97.23 104.34 16.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 99.2 p -97.37 120.96 38.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 t -117.1 170.51 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.47 -177.3 46.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.8 t -145.57 161.37 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.5 t -102.77 112.04 24.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.22 -165.45 19.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -111.04 130.15 55.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.4 m -42.98 163.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.03 147.78 39.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -124.55 138.77 54.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.9 mp -68.49 137.92 54.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -110.18 127.0 54.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.8 mt -92.85 -47.98 6.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -73.42 -178.84 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -116.58 117.19 29.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 84' ' ' ASP . 12.3 mt -131.88 134.47 45.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 17.2 t -43.89 165.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.23 -35.33 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.6 t -68.29 -45.68 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 19.0 p -107.29 -18.37 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 mt 55.57 52.3 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' ASP . 15.8 mt-10 -131.32 127.83 38.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.507 ' HA ' HD23 ' A' ' 77' ' ' LEU . 3.2 m-20 -36.61 123.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.433 ' CD1' HD22 ' A' ' 91' ' ' LEU . 41.6 m-85 -53.66 137.91 36.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -123.57 144.96 45.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -30.46 22.22 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -52.12 -40.02 60.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.48 159.11 15.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 10.7 tp10 -85.41 94.8 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 85' ' ' PHE . 12.8 mt -69.1 103.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.95 113.76 3.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.3 mm -85.07 135.22 25.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.59 162.27 28.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.8 2.54 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.396 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 p -108.47 27.44 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt 58.58 29.78 18.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 117' ' ' LEU . 12.2 m170 -114.07 159.94 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.1 136.26 54.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 93.5 m-85 -148.88 150.02 32.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.429 ' HD2' HD23 ' A' ' 91' ' ' LEU . 37.9 m80 -72.11 134.93 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 101' ' ' HIS . 10.5 mtp180 -36.1 -55.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' CYS . 6.0 tptp -64.25 -63.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' LYS . 58.8 m -36.38 -47.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 106' ' ' ILE . 13.4 tp -68.41 -69.48 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' LEU . 91.4 mt -36.71 -49.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -65.12 -58.21 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -46.84 -55.85 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.7 mt -39.7 -46.58 1.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -48.32 -56.12 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.36 -58.52 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.511 ' HB3' HG22 ' A' ' 114' ' ' VAL . 51.3 mtt180 -126.64 122.02 33.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -79.35 46.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' A' ' 112' ' ' ARG . 27.2 m -143.65 174.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 3.7 t -87.46 124.77 67.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.731 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 9.69 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 98' ' ' HIS . 12.1 mt -124.0 -51.79 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.72 15.09 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 11.2 t-20 38.61 41.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.439 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 14.6 ttt -91.98 139.73 24.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.7 Cg_endo -69.74 108.23 2.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.6 t -112.66 119.73 61.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.3 mp -99.32 127.99 45.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -59.85 114.01 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 tp -118.31 46.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.45 -49.02 6.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.061 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -148.61 133.1 17.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.9 mp -140.48 161.08 38.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.3 m 47.5 45.81 17.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -146.35 -176.64 20.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 106.33 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.3 m -81.35 165.11 21.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.8 p -103.91 110.23 22.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.493 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.1 t -99.23 164.52 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.0 p -67.56 177.66 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.73 91.8 0.13 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.1 t -108.68 92.97 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.6 m -40.4 119.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.92 161.16 25.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -128.03 156.26 43.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -37.35 121.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.96 150.48 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -158.02 111.92 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -125.04 124.69 42.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -116.93 42.92 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.0 mt -121.96 120.29 34.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.37 43.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -124.18 87.19 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 84' ' ' ASP . 15.2 mt -120.55 132.49 55.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 82' ' ' LEU . 52.4 t -58.45 112.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.29 75.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 104' ' ' CYS . 39.4 t -54.17 -52.25 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 83' ' ' GLU . 28.9 p -116.35 19.46 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 78' ' ' CYS . 7.2 mt 36.91 55.02 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . 21.6 mt-10 -140.74 138.77 34.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -51.85 171.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 62.3 m-85 -102.74 134.02 46.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -125.17 153.27 71.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.65 27.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -56.88 -31.37 64.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' GLU . 2.4 m-20 -116.56 110.54 18.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' ASP . 3.2 tp10 -35.91 141.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.47 121.09 38.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.93 109.82 3.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.479 HG12 ' HB2' ' A' ' 99' ' ' ALA . 44.1 mt -88.25 120.28 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -80.03 162.4 62.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.28 . . . . 0.0 112.316 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.0 p -104.61 33.07 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt 52.98 38.93 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.741 ' CD2' HD13 ' A' ' 117' ' ' LEU . 9.0 m170 -132.82 158.84 41.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.479 ' HB2' HG12 ' A' ' 93' ' ' ILE . . . -138.88 143.06 38.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.462 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 47.8 m-85 -150.05 163.19 38.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -67.27 133.59 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -39.74 -46.37 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 104' ' ' CYS . 30.9 mmtt -71.72 -67.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 103' ' ' LYS . 96.1 m -33.91 -48.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.96 -65.31 0.7 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.8 mt -39.99 -58.9 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -54.28 -51.44 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 72.0 t-105 -51.72 -39.29 58.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.15 -39.81 90.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -43.96 -47.85 8.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.63 HG23 ' N ' ' A' ' 112' ' ' ARG . 34.9 m -94.84 -52.5 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.63 ' N ' HG23 ' A' ' 111' ' ' VAL . 20.2 mtt180 -115.29 104.08 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -76.85 45.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.473 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 33.2 m -141.05 175.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.0 t -87.05 126.37 63.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.607 0.718 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 7.35 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.741 HD13 ' CD2' ' A' ' 98' ' ' HIS . 16.8 mt -117.46 -69.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.8 p -81.22 -22.04 39.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 62.3 47.91 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 74.8 mtp -117.09 146.68 38.6 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.6 0.715 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 109.4 2.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.746 2.297 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 122' ' ' VAL . 5.5 p -130.58 83.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -101.1 120.93 40.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.426 ' CD ' ' O ' ' A' ' 124' ' ' GLN . 4.4 pp0? -129.92 40.51 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.37 123.83 24.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -133.82 41.79 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -108.38 140.16 42.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.3 pp -169.47 156.83 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.0 p -89.06 -52.18 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 160.35 170.89 25.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 85.22 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.5 m -102.28 114.37 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 59.7 p -126.01 142.36 51.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.457 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.8 p -140.59 137.42 33.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.836 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 p -165.65 166.3 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.47 -150.19 20.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.534 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.5 p -80.73 125.13 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.5 p -75.34 -25.08 57.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.89 107.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -69.19 114.58 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -112.82 134.99 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -112.28 92.18 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -145.29 163.92 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mp -125.98 170.42 11.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.7 m120 65.21 47.77 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.419 ' C ' HD21 ' A' ' 77' ' ' LEU . 2.8 mp -106.7 86.01 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.404 ' O ' HD13 ' A' ' 77' ' ' LEU . 10.4 m80 -135.21 147.53 49.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' CD2' ' A' ' 85' ' ' PHE . 1.1 mp0 62.88 45.99 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.864 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -98.45 158.06 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' LEU . 45.5 t -59.38 111.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -13.72 35.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.52 -60.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.4 p -101.35 14.8 30.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' CYS . 8.3 mt 37.12 54.5 1.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -140.69 140.88 35.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -46.97 169.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 76' ' ' GLU . 46.7 m-85 -102.51 106.8 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -87.7 149.2 45.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -30.66 21.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -54.95 -36.76 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.83 139.39 34.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.619 ' O ' HD23 ' A' ' 91' ' ' LEU . 4.9 mp0 -53.73 -177.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 90' ' ' GLU . 41.6 mt -149.92 115.87 5.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.77 108.19 3.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.6 mt -87.83 108.54 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.7 m -68.29 160.22 76.6 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.59 0.71 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 2.09 3.84 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.0 p -103.48 25.64 9.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 25.62 15.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 5.4 m170 -116.77 154.72 30.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -127.47 140.69 51.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 64.5 m-85 -150.8 159.88 44.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -63.34 126.18 26.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.488 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.2 mmp_? -49.56 -20.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 34.3 pttt -91.45 -40.24 11.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 85.8 m -70.45 -49.29 50.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 tp -53.39 -53.91 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 102' ' ' ARG . 86.9 mt -48.36 -47.31 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -65.86 -56.2 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' A' ' 116' ' ' PRO . 57.0 t-105 -54.83 -29.77 55.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 109' ' ' LEU . 14.5 mt -65.92 -39.06 90.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.96 -59.62 5.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 112' ' ' ARG . 19.5 m -59.23 -41.81 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.856 ' HG2' HG22 ' A' ' 114' ' ' VAL . 10.0 ttm180 -140.28 126.84 20.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HE2' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -84.33 47.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.856 HG22 ' HG2' ' A' ' 112' ' ' ARG . 16.1 m -148.63 171.2 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 10.9 t -78.57 133.79 62.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.45 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.77 6.68 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.53 -76.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 119' ' ' ASN . 26.6 p -70.69 -3.19 17.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 118' ' ' CYS . 4.4 p30 46.57 48.46 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.6 tpp -123.28 137.03 27.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 107.91 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 122' ' ' VAL . 3.3 m -77.2 84.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.8 mt -85.37 90.26 7.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -102.73 142.15 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tt -74.94 84.84 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -101.02 50.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -100.38 124.15 45.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.2 mt -146.61 120.5 9.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 48.2 t -92.73 112.07 23.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -71.99 147.9 42.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -48.22 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.388 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 66.6 m -95.62 96.47 9.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.2 m -151.84 107.75 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.468 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.8 t -120.24 85.56 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.379 . . . . 0.0 110.882 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 m -104.7 101.45 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.56 -151.52 22.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.1 p -148.66 165.76 30.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -105.64 151.11 24.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.66 102.57 0.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -82.22 155.79 24.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.864 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 69' ' ' VAL . 35.0 m -35.78 120.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HE2' HD12 ' A' ' 72' ' ' LEU . 25.5 pttm -174.52 160.5 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -129.8 99.78 5.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.591 HD12 ' HE2' ' A' ' 70' ' ' LYS . 30.3 mt -116.52 39.48 3.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.86 93.26 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 tt -97.5 95.06 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -154.99 164.6 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 61.63 39.63 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -125.41 144.85 50.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.01 166.3 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.454 ' HA ' HD23 ' A' ' 82' ' ' LEU . . . -116.2 -36.02 4.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.87 -52.82 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.2 p -98.72 -23.97 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 79' ' ' ALA . 16.3 mt 62.21 52.18 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASP . 15.0 mm-40 -134.07 131.71 39.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -35.65 145.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -86.09 149.31 25.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -134.58 147.35 62.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.15 6.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -47.26 -38.67 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.32 124.89 44.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -44.07 156.32 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.1 mt -136.32 118.08 15.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.17 111.07 3.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.7 mp -87.59 121.16 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.43 157.35 75.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.666 0.746 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.56 2.7 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.1 p -110.37 32.28 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp 52.61 47.19 25.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.683 ' CD2' HD13 ' A' ' 117' ' ' LEU . 22.1 m170 -145.81 120.58 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.53 150.4 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 97.3 m-85 -150.32 165.47 32.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' ARG . 34.0 m80 -72.2 126.59 30.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.461 ' O ' HD12 ' A' ' 106' ' ' ILE . 2.5 mmp_? -37.14 -38.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -77.55 -58.66 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 65.6 m -42.9 -57.41 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -48.69 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.572 ' HA ' HD12 ' A' ' 109' ' ' LEU . 58.5 mt -39.89 -55.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -52.31 -48.16 65.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.48 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 67.3 t-105 -65.91 -31.13 71.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 106' ' ' ILE . 43.5 mt -68.54 -38.81 81.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.85 -50.15 57.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 112' ' ' ARG . 28.0 m -75.62 -47.91 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.536 ' N ' HG23 ' A' ' 111' ' ' VAL . 21.7 ttt85 -148.37 130.75 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.499 ' HA ' HD23 ' A' ' 109' ' ' LEU . 3.2 mptp? -84.29 68.12 10.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 3.3 m -147.12 165.58 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 45.8 t -81.29 127.19 74.63 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.753 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.597 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.4 Cg_endo -69.84 7.69 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' A' ' 98' ' ' HIS . 15.0 mt -115.25 -66.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 19.8 p -85.98 -12.76 49.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 26.8 t30 64.66 32.18 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -105.83 134.05 19.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 111.95 2.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 123' ' ' LEU . 4.5 m -89.46 15.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.4 mp 32.93 52.54 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -67.97 -4.62 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.454 HD12 ' HE3' ' A' ' 113' ' ' LYS . 2.2 tt -102.81 85.08 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.96 -42.75 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -151.54 154.67 36.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.36 110.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.6 p -107.1 -46.79 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.64 147.13 7.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 101.47 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 43.6 t -61.36 133.01 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 65.0 p -154.07 152.7 30.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 p -159.95 116.01 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.875 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.8 p -52.25 151.03 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.79 179.43 25.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 m -135.46 105.25 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 t -119.61 164.95 15.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.34 -169.37 25.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -79.53 115.49 19.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.2 t -97.63 89.55 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -130.82 41.96 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.636 ' HG3' HD21 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -145.29 127.92 16.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.4 mp -89.77 -8.38 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -142.38 124.65 15.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.636 HD21 ' HG3' ' A' ' 71' ' ' GLU . 36.2 mt -128.19 39.32 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -73.93 -56.34 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -152.4 149.62 28.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -119.69 148.87 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.556 ' N ' ' CE2' ' A' ' 85' ' ' PHE . 13.4 t -53.23 166.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.06 -32.32 5.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.77 -53.84 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.6 -23.72 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.6 mt 66.04 46.64 2.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -129.14 137.2 51.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -41.81 147.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CE2' ' N ' ' A' ' 78' ' ' CYS . 33.3 m-85 -94.31 134.86 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -119.99 152.52 54.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -33.52 16.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -49.35 -40.15 34.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -95.17 133.24 39.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 8.4 tt0 -60.15 133.62 56.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.56 125.83 51.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.91 120.35 6.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.47 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.73 139.28 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.764 0.316 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.19 161.68 22.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.574 0.702 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.68 4.26 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 p -111.21 29.93 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt 52.45 46.15 27.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 17.7 m170 -140.02 136.1 33.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.52 144.38 42.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.69 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 94.1 m-85 -147.07 155.33 42.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' ARG . 35.9 m80 -57.6 125.97 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' HIS . 11.8 mmt180 -36.91 -39.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -77.07 -60.64 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.5 m -39.17 -53.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.1 tp -54.86 -56.17 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.6 mt -48.27 -48.21 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -63.26 -57.32 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 112' ' ' ARG . 76.3 t-105 -47.42 -48.74 26.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.3 mt -50.16 -32.15 15.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.69 -62.58 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 112' ' ' ARG . 14.0 p -80.63 -50.38 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.605 ' N ' HG13 ' A' ' 111' ' ' VAL . 7.5 mmm180 -114.53 108.64 17.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -81.02 43.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.489 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 28.7 m -147.21 175.94 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 42.5 t -73.3 125.25 90.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.658 0.742 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.401 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.5 Cg_endo -69.75 12.78 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.69 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 15.5 mt -125.45 -57.4 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.453 ' O ' ' ND2' ' A' ' 119' ' ' ASN . 30.4 p -105.18 5.51 32.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 118' ' ' CYS . 1.0 OUTLIER 46.64 27.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.416 ' CB ' ' SG ' ' A' ' 118' ' ' CYS . 3.7 tpt -73.71 135.45 77.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.549 0.69 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.44 2.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.78 78.83 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -110.78 107.75 17.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.92 41.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 65.5 mt -132.04 85.38 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -129.71 -45.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -125.58 40.7 3.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 128' ' ' LEU . 6.1 mp -123.89 169.49 11.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.3 m -150.94 109.73 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.37 -157.41 24.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 3.32 2.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.3 m 69.14 42.6 1.21 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.2 p -69.58 129.97 41.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.2 t -164.37 140.04 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -42.93 -58.77 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.56 100.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -133.07 102.21 5.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.3 t -132.44 167.26 20.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.71 84.79 0.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -163.55 149.25 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.1 t -120.3 94.62 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -122.98 163.1 21.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -134.8 39.01 3.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 72' ' ' LEU . 2.9 pp -174.83 122.34 0.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -113.93 43.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 tt -109.95 117.56 34.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -60.0 103.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -107.92 48.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mp -118.63 156.85 28.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.26 163.73 6.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.7 -37.17 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.18 -60.41 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.5 p -91.9 -26.67 18.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 mt 64.71 51.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' ASP . 65.5 mm-40 -126.93 126.07 42.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -36.76 112.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -46.45 139.88 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -127.55 145.62 55.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -41.0 4.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -47.3 -37.31 10.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -97.44 137.84 35.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.75 139.27 58.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.1 mt -122.96 131.07 53.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.84 113.57 4.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 99' ' ' ALA . 44.2 mm -85.41 110.79 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -66.65 161.87 56.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.95 2.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.747 2.298 . . . . 0.0 112.333 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 p -106.47 30.56 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt 50.9 43.53 28.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.564 ' CD2' HD13 ' A' ' 117' ' ' LEU . 4.5 m170 -129.34 147.74 51.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.613 ' HA ' HD13 ' A' ' 93' ' ' ILE . . . -106.9 138.55 42.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.733 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 82.2 m-85 -150.31 156.94 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -77.71 134.02 38.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.529 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.4 mmp_? -42.97 -33.63 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -83.77 -55.74 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.5 m -46.02 -54.88 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.455 HD23 ' NH2' ' A' ' 102' ' ' ARG . 19.5 tp -52.28 -54.13 35.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 102' ' ' ARG . 70.3 mt -54.17 -51.27 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -57.52 -44.94 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.447 ' CE2' ' HB3' ' A' ' 116' ' ' PRO . 76.0 t-105 -62.57 -57.37 11.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 106' ' ' ILE . 44.3 mt -37.05 -48.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -40.76 -59.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.51 -62.07 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.621 ' HB3' HG22 ' A' ' 114' ' ' VAL . 36.7 mtt85 -129.16 139.3 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.96 36.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.621 HG22 ' HB3' ' A' ' 112' ' ' ARG . 35.0 m -131.67 162.15 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 39.4 t -74.58 127.62 87.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.447 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 53.4 Cg_endo -69.8 6.76 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.733 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 29.0 mt -114.32 -69.57 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.3 p -81.57 -12.07 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 36.6 t30 60.44 44.58 11.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.3 ttt -125.73 136.72 28.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.712 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.432 ' HB2' ' CD2' ' A' ' 123' ' ' LEU . 54.2 Cg_endo -69.71 108.1 1.99 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 122' ' ' VAL . 3.2 m -68.72 90.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 121' ' ' PRO . 4.2 mm? -92.01 83.19 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -149.99 113.68 5.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.08 87.92 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -108.99 -50.04 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -114.33 105.84 13.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.55 HD23 ' H ' ' A' ' 128' ' ' LEU . 2.0 pt? -119.95 160.25 23.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -76.52 89.65 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 131' ' ' PRO . . . 151.66 100.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.437 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 130' ' ' GLY . 54.0 Cg_endo -69.76 94.71 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 t -56.36 157.1 5.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.3 m -110.3 153.23 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.0 m -99.99 144.3 29.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLY . 9.2 t -87.6 42.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' SER . . . 38.0 55.27 1.89 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 m -101.94 42.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.4 p -117.2 42.23 2.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.78 -130.07 10.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' VAL . 38.1 mmtt -126.6 41.78 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' LYS . 32.8 m 37.16 40.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -102.56 41.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -156.39 106.99 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 tp -120.51 137.09 54.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -171.48 155.59 4.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.63 126.65 30.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -84.86 81.1 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -89.88 90.62 8.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 mt -134.38 140.65 46.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 53.6 t -50.9 120.9 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.49 19.29 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.3 -42.35 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 27.9 p -119.22 1.64 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.3 mt 53.76 55.04 8.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -141.55 140.22 33.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -54.43 157.16 2.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 28.1 m-85 -93.62 147.34 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -141.19 145.83 40.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -36.75 10.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.328 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -48.33 -38.09 18.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.76 175.38 6.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.404 ' C ' ' HG ' ' A' ' 91' ' ' LEU . 19.2 pt-20 -83.92 157.09 22.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 85' ' ' PHE . 22.7 mt -153.23 136.5 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.27 106.27 2.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 77.2 mt -84.22 118.2 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.5 m -81.67 162.63 57.31 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.6 0.715 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 5.06 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.7 p -107.21 32.01 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm 52.62 41.71 31.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 10.3 m170 -133.64 149.73 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.19 138.7 53.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.561 ' HZ ' HD12 ' A' ' 117' ' ' LEU . 68.6 m-85 -149.97 141.04 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -49.48 121.92 5.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -38.49 -40.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -71.67 -45.64 61.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 54.0 m -59.71 -56.07 26.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 100' ' ' PHE . 12.3 tp -46.73 -54.93 8.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.634 ' HA ' HD12 ' A' ' 109' ' ' LEU . 68.6 mt -49.87 -60.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -42.81 61.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.422 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 71.9 t-105 -65.08 -38.49 90.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 106' ' ' ILE . 13.5 mt -64.54 -31.42 72.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.04 -60.32 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.1 p -76.32 -48.68 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.543 ' N ' HG13 ' A' ' 111' ' ' VAL . 20.0 mtm180 -127.94 112.85 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 113' ' ' LYS . 3.7 mppt? -80.98 42.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.465 HG22 ' HB3' ' A' ' 112' ' ' ARG . 34.9 m -132.26 175.98 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 5.7 t -87.3 128.29 55.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 9.83 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.561 HD12 ' HZ ' ' A' ' 100' ' ' PHE . 18.9 mt -127.98 -57.87 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 119' ' ' ASN . 31.6 p -104.27 16.98 25.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 118' ' ' CYS . 8.9 p-10 32.03 52.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 57.0 mtp -104.41 144.03 27.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 108.03 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 59.7 t -111.21 143.17 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 74.02 54.98 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -79.43 45.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.5 74.78 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.5 60.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -141.66 119.4 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.2 mt -144.45 162.87 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.9 m -73.79 74.9 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 171.93 96.1 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.535 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 2.29 3.66 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.4 m -103.86 145.84 29.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.8 m -68.84 150.46 47.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -109.79 152.79 25.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m -93.0 169.03 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.62 -164.04 13.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -60.5 146.27 45.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.787 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.0 m -58.5 90.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.2 -140.09 7.32 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.56 83.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 69' ' ' VAL . 2.7 p -130.29 112.46 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -120.83 41.7 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' O ' ' CD ' ' A' ' 71' ' ' GLU . 2.8 pp20? -92.23 121.66 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 pp -166.15 -177.69 4.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -115.89 154.68 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 mt -106.51 116.16 31.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -174.65 167.5 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.63 83.56 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.2 mt -151.46 148.63 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 50.4 t -58.51 125.34 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.33 19.69 7.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 104' ' ' CYS . 58.5 t -110.88 -38.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.7 p -123.55 9.06 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt 48.24 55.02 9.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -142.17 168.08 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.75 148.26 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -75.83 157.59 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -144.49 152.44 53.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -34.99 13.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -49.29 -36.45 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -105.04 151.13 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.42 146.71 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -120.0 145.35 46.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.24 108.98 1.35 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.1 mt -85.89 116.98 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.51 162.2 69.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.37 2.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.8 p -104.95 32.46 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.76 46.08 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 14.0 m170 -144.13 141.79 30.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.31 142.97 45.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 98.8 m-85 -146.81 155.32 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 103' ' ' LYS . 29.5 m80 -58.2 122.88 14.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.564 ' O ' HD12 ' A' ' 106' ' ' ILE . 6.8 mmt85 -37.24 -31.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' HIS . 51.3 tttt -84.4 -60.47 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.481 ' HB3' HG11 ' A' ' 80' ' ' VAL . 88.4 m -43.41 -47.42 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.71 -54.49 45.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 102' ' ' ARG . 61.4 mt -52.61 -49.89 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -58.79 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' LEU . 60.1 t-105 -47.94 -54.74 11.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 106' ' ' ILE . 35.5 mt -34.38 -50.23 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -46.73 -65.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.54 -47.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -134.75 118.12 16.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.34 37.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 121' ' ' PRO . 34.4 m -140.13 170.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.68 127.78 79.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 7.73 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.7 mt -117.07 -67.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 23.8 p -84.77 -25.35 28.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.87 38.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.06 136.62 22.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.692 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.595 ' HA ' HG12 ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.73 108.25 2.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.353 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.22 88.17 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 tt -82.92 107.53 15.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -98.1 131.48 44.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' ALA . 26.8 tp -173.67 111.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' LEU . . . 37.34 39.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -28.76 63.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -105.56 82.08 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.3 m -45.52 165.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 119.18 -155.68 15.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 160.56 49.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.641 2.227 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.3 m -110.92 123.59 50.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.7 t -74.62 143.52 44.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.1 m -130.74 159.83 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.3 p -79.24 111.62 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.57 99.84 2.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.5 p -140.38 112.85 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.889 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.8 p -58.45 176.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.17 116.65 0.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.62 134.67 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.7 p -125.25 140.82 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -59.64 93.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -83.98 88.25 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.7 tp -113.18 -9.48 13.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -80.37 85.22 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.9 mt -110.27 41.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -103.06 -44.66 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.625 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.29 124.01 17.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 76' ' ' GLU . 12.3 mt -143.36 151.32 40.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.2 t -67.48 164.65 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.69 -30.01 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -75.04 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.6 p -87.1 -25.67 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mt 65.0 49.12 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -130.25 136.05 48.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -41.07 122.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -51.62 163.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -144.26 144.84 27.16 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.23 9.45 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -46.63 -39.49 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.24 143.65 27.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -74.29 62.7 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 90' ' ' GLU . 68.3 mt -34.0 101.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.16 125.06 6.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.45 131.01 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.26 160.72 39.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.21 2.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.262 . . . . 0.0 112.317 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 p -112.2 35.93 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt 48.26 42.87 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.655 ' CD2' HD13 ' A' ' 117' ' ' LEU . 32.7 m170 -136.96 123.51 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.48 150.0 23.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.523 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 81.6 m-85 -150.79 161.29 42.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' ARG . 23.0 m80 -70.1 131.38 44.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' HIS . 12.7 mmm180 -37.18 -40.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -78.9 -64.49 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 84.8 m -37.36 -48.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.49 -63.63 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 53.8 mt -43.1 -56.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.99 -53.04 29.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.545 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 75.4 t-105 -57.4 -46.21 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -54.69 -39.11 67.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -55.57 -64.31 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.601 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.4 p -64.82 -53.51 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.601 ' N ' HG13 ' A' ' 111' ' ' VAL . 23.2 mtm180 -127.05 129.89 48.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -88.73 43.83 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.545 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 33.8 m -135.11 173.98 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 30.1 t -89.44 129.66 46.49 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.725 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.523 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.6 Cg_endo -69.78 6.59 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.655 HD13 ' CD2' ' A' ' 98' ' ' HIS . 15.9 mt -114.77 -72.22 0.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.3 p -78.07 -20.37 52.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 12.9 m-20 60.74 47.76 7.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.3 mmt -113.15 150.93 43.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.546 0.688 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 109.61 2.35 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.8 t -118.93 82.44 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.4 tt -85.32 118.48 24.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -104.88 99.4 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.99 -54.63 12.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.44 67.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.65 129.13 40.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.4 pp -152.12 172.3 16.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.7 m -48.18 -57.28 6.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.41 -172.21 15.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.478 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.9 Cg_endo -69.75 3.52 2.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 131' ' ' PRO . 58.6 m -31.48 -60.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 20.3 t -134.72 121.58 20.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.1 m 60.31 44.24 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.0 p -51.16 -46.48 62.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.22 107.68 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 m -77.08 151.21 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -66.89 -62.02 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.54 143.91 4.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 137.43 53.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.752 0.31 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.57 134.06 60.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -106.71 133.04 51.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.48 ' N ' ' OE2' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -156.31 130.5 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.7 mp -94.44 84.5 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -136.29 144.06 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.9 tp -86.2 138.67 31.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -151.74 170.44 19.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.64 96.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 mt -102.9 145.46 29.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 32.3 t -47.69 164.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.864 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -115.58 -34.73 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.8 t -66.53 -46.41 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.1 p -110.11 -26.08 9.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt 66.43 54.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -135.16 126.08 27.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -40.54 127.93 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.766 ' HD2' HD22 ' A' ' 91' ' ' LEU . 93.8 m-85 -60.31 146.65 43.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -135.72 152.45 76.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -33.54 16.42 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.728 2.285 . . . . 0.0 112.328 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -52.59 -32.95 43.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -114.42 130.44 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.8 mm-40 -48.14 160.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.766 HD22 ' HD2' ' A' ' 85' ' ' PHE . 42.3 mt -136.69 110.83 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.33 106.05 3.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 61.4 mt -88.71 122.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.24 161.55 69.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.5 2.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.3 p -107.16 36.35 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt 51.25 35.26 13.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 6.1 m170 -123.83 148.53 46.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.18 144.43 49.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 56.7 m-85 -150.63 162.49 40.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -76.54 136.34 39.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -45.79 -32.93 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 13.7 ptpt -84.08 -36.23 23.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 30.7 m -65.98 -54.18 29.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.56 -66.89 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.58 ' HA ' HD12 ' A' ' 109' ' ' LEU . 98.0 mt -42.39 -55.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -57.52 -39.57 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.471 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 77.0 t-105 -65.45 -38.85 91.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 106' ' ' ILE . 32.3 mt -60.63 -28.01 68.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -62.11 -62.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.8 p -70.21 -45.57 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.499 ' N ' HG13 ' A' ' 111' ' ' VAL . 58.8 mtm-85 -136.28 119.85 17.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.23 35.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 112' ' ' ARG . 27.5 m -129.98 173.85 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 3.6 t -82.06 125.73 76.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.471 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.71 9.04 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.391 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.864 HD21 ' HB2' ' A' ' 79' ' ' ALA . 92.6 mt -125.8 -52.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 119' ' ' ASN . 30.8 p -111.74 19.27 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 118' ' ' CYS . 7.4 p-10 33.22 52.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.8 mmm -104.51 144.41 28.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 108.09 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.9 t -105.4 88.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.8 mt -109.87 89.57 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -134.13 31.84 3.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -76.75 0.4 20.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.17 -48.41 81.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.06 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -80.93 144.74 31.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.75 -48.0 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.8 p -118.57 174.22 6.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.64 111.99 3.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 114.43 3.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.7 p -94.33 79.12 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.8 m -157.78 122.04 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -42.5 164.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.74 -36.59 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.77 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.8 p -89.15 -27.97 20.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.6 mt 66.88 54.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -133.67 133.34 41.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -41.43 122.71 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -57.6 140.45 50.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -122.09 146.8 47.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -36.39 11.12 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.397 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -49.4 -40.37 35.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -95.02 142.54 27.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.76 148.26 51.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.9 mt -120.14 126.48 50.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.91 121.3 7.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.443 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.67 135.81 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.32 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.39 162.12 21.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.51 2.76 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.7 p -112.94 31.38 6.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt 49.83 42.84 24.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 100' ' ' PHE . 32.8 m170 -137.19 121.64 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.5 144.09 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 98' ' ' HIS . 41.6 m-85 -144.68 167.8 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -67.8 130.43 42.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.672 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -42.79 -34.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -80.68 -52.79 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 69.7 m -50.77 -48.81 59.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.8 tp -60.9 -66.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 102' ' ' ARG . 59.7 mt -39.14 -49.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -65.64 -62.79 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.439 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 62.9 t-105 -46.29 -29.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 106' ' ' ILE . 30.5 mt -68.79 -35.18 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.88 -53.19 54.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.7 m -75.12 -33.24 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -147.97 107.29 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -75.9 48.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.439 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 20.3 m -143.68 166.7 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 20.9 t -82.71 126.37 73.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.43 2.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 117' ' ' LEU . 12.6 mt -110.87 -71.16 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.3 p -79.6 -29.19 41.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 73.06 43.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.43 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 3.1 ttt -105.54 141.24 22.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' A' ' 84' ' ' ASP . 23.9 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 52.6 t -44.16 124.73 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.66 20.57 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t -111.3 -41.69 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.7 p -117.37 -9.92 10.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.7 mt 61.25 49.33 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -138.29 125.54 21.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.564 ' HA ' HD22 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -40.8 142.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 36.1 m-85 -74.34 144.73 44.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -132.11 149.81 74.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.56 0.695 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -39.18 6.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.8 mtp180 -47.17 -39.76 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -99.74 128.21 45.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.26 139.29 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' A' ' 85' ' ' PHE . 42.8 mt -119.72 117.71 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.5 106.01 3.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.411 HG12 ' HB2' ' A' ' 99' ' ' ALA . 98.2 mt -83.79 138.84 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.2 m -99.35 158.02 32.97 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.589 0.709 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 6.09 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.3 p -111.7 28.67 8.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp 55.9 43.7 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.63 ' CD2' HD13 ' A' ' 117' ' ' LEU . 21.0 m170 -141.52 124.08 15.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.411 ' HB2' HG12 ' A' ' 93' ' ' ILE . . . -106.42 150.01 26.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.508 ' HB2' HD13 ' A' ' 105' ' ' LEU . 89.6 m-85 -150.99 163.78 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 102' ' ' ARG . 43.2 m80 -73.87 128.57 35.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 101' ' ' HIS . 22.0 mmt85 -36.75 -45.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -70.63 -54.85 10.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.5 m -47.07 -52.18 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 100' ' ' PHE . 10.4 tp -56.49 -60.79 3.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 67.8 mt -44.71 -43.27 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -67.2 -54.52 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' LEU . 67.9 t-105 -53.79 -58.22 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' TRP . 56.2 mt -34.97 -54.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -40.43 -57.42 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.94 -48.49 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.652 ' HB3' HG22 ' A' ' 114' ' ' VAL . 29.5 mtt180 -149.62 128.17 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -76.7 47.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.652 HG22 ' HB3' ' A' ' 112' ' ' ARG . 31.6 m -139.4 176.11 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.3 t -89.08 128.38 51.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 4.62 2.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.63 HD13 ' CD2' ' A' ' 98' ' ' HIS . 14.3 mt -113.86 -71.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.5 p -79.57 -29.31 41.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 71.11 47.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.4 mmm -115.89 150.17 44.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.559 0.695 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.393 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.857 0.361 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 50.5 t -72.81 109.08 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.72 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.85 -54.2 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 82' ' ' LEU . 30.8 p -113.44 22.67 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 78' ' ' CYS . 6.8 mt 32.39 55.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -147.91 135.82 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.01 168.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 38.1 m-85 -97.88 147.76 24.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -118.53 148.08 43.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.573 0.701 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -37.58 8.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -48.59 -39.57 24.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.48 145.52 28.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -69.85 134.45 48.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 85' ' ' PHE . 20.3 mt -115.98 127.83 55.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.32 108.73 3.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.08 115.52 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.751 0.31 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.0 m -72.54 158.0 88.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.623 0.725 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.316 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.9 p -107.61 33.59 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 51.36 41.1 27.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.684 ' CD2' HD13 ' A' ' 117' ' ' LEU . 29.5 m170 -139.5 128.11 23.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.47 147.1 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 85.8 m-85 -150.77 152.49 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -59.7 127.42 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -38.68 -36.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -79.23 -56.45 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -48.49 -36.67 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.3 tp -72.69 -62.41 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 53.7 mt -49.94 -36.72 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -76.69 -46.32 26.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.477 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 51.7 t-105 -58.83 -38.43 78.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.14 -24.96 65.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.74 -61.05 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.7 -32.3 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.566 ' HB3' HG22 ' A' ' 114' ' ' VAL . 53.2 mtt180 -151.26 110.02 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -76.14 47.79 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.566 HG22 ' HB3' ' A' ' 112' ' ' ARG . 33.9 m -136.74 176.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 38.1 t -91.26 126.4 54.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 6.43 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.684 HD13 ' CD2' ' A' ' 98' ' ' HIS . 17.1 mt -113.31 -68.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 12.6 p -83.55 -21.09 32.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 60.6 m-80 62.61 39.77 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.1 mmt -108.38 145.49 31.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 84' ' ' ASP . 5.5 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.7 t -50.61 153.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.02 -27.48 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.53 -54.1 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 p -104.94 8.29 34.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt 42.55 54.93 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -140.23 160.72 39.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.531 ' HA ' HD23 ' A' ' 77' ' ' LEU . 14.9 p-10 -70.38 151.58 45.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.441 ' CD1' HD22 ' A' ' 91' ' ' LEU . 65.3 m-85 -81.38 150.53 28.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -135.68 150.34 71.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -38.68 7.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -49.31 -35.89 19.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -106.55 114.12 28.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -42.79 120.17 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD22 ' CD1' ' A' ' 85' ' ' PHE . 25.9 mt -94.99 108.37 20.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.39 119.92 5.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 16.0 mm -95.38 113.83 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.79 0.328 . . . . 0.0 111.161 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -72.54 160.13 83.59 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.6 0.715 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.45 2.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.25 . . . . 0.0 112.399 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.1 p -106.33 29.21 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt 54.39 41.61 31.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.693 ' CD2' HD13 ' A' ' 117' ' ' LEU . 5.1 m80 -132.93 143.4 49.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . . . -107.75 141.64 38.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 84.9 m-85 -150.46 157.07 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -73.41 127.97 34.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -38.58 -37.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -77.14 -51.94 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.9 m -50.74 -58.45 5.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.0 tp -49.51 -57.74 6.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 81.5 mt -45.81 -48.32 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -63.99 -55.12 24.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 77.2 t-105 -53.29 -33.26 52.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 76.6 mt -67.99 -37.52 81.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -55.51 -47.46 76.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.623 HG13 ' N ' ' A' ' 112' ' ' ARG . 11.1 p -83.07 -51.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.623 ' N ' HG13 ' A' ' 111' ' ' VAL . 65.5 mtt180 -128.67 122.2 30.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -82.81 45.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.529 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 29.3 m -141.37 171.52 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 42.2 t -82.37 127.36 71.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.524 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.3 Cg_endo -69.72 10.56 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.693 HD13 ' CD2' ' A' ' 98' ' ' HIS . 14.1 mt -120.56 -67.75 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.6 p -85.89 -9.85 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 2.8 m120 54.65 41.74 31.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.421 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 12.6 ttp -100.65 138.63 20.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.487 ' HA ' HG12 ' A' ' 114' ' ' VAL . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.805 0.336 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 31.3 t -55.06 163.76 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.87 -38.99 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.55 -62.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.19 -24.94 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.0 mt 63.25 54.59 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' ASP . 17.7 mt-10 -132.86 133.56 43.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.1 p-10 -36.88 130.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 78' ' ' CYS . 22.6 m-85 -78.77 147.57 33.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -137.03 143.2 41.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.718 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -38.34 7.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.98 -39.89 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.14 141.05 29.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.59 136.41 57.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.6 mt -131.99 152.51 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.22 118.39 3.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.44 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.19 140.67 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.6 156.95 35.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 5.11 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.5 p -114.02 31.53 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.3 41.23 32.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.487 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 38.1 m170 -136.6 122.61 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.15 147.34 26.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.547 ' HB2' HD13 ' A' ' 105' ' ' LEU . 87.8 m-85 -146.28 167.95 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' ARG . 21.3 m80 -74.69 125.64 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' HIS . 26.0 mmm-85 -37.03 -42.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 104' ' ' CYS . 3.0 tppt? -74.57 -65.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' LYS . 89.0 m -36.98 -54.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 100' ' ' PHE . 10.7 tp -51.32 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 109' ' ' LEU . 76.2 mt -38.38 -55.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -54.29 -49.59 69.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.557 ' O ' HG22 ' A' ' 111' ' ' VAL . 55.3 t-105 -62.58 -64.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 106' ' ' ILE . 21.7 mt -30.76 -44.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -50.83 -65.28 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 108' ' ' TRP . 27.3 m -59.4 -32.52 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.63 ' HB3' HG22 ' A' ' 114' ' ' VAL . 58.7 mtt180 -157.11 115.11 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -75.64 48.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 112' ' ' ARG . 34.0 m -137.96 161.91 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 31.6 t -74.39 125.72 89.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.543 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.9 Cg_endo -69.74 5.71 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.517 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 12.6 mt -111.39 -70.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.6 p -79.43 -18.68 51.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 68.69 50.55 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.3 mmt -133.2 137.87 30.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.713 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.4 t -55.2 164.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.28 -19.17 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.3 t -86.13 -59.66 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.9 p -90.58 -17.14 27.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt 59.43 52.36 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' ASP . 69.4 mt-10 -133.72 133.49 41.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.8 m-20 -35.67 141.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.621 ' CD1' ' CD2' ' A' ' 91' ' ' LEU . 8.4 m-85 -75.29 154.07 37.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -131.95 141.24 40.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -40.57 5.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -50.31 -37.41 36.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.52 148.9 21.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.42 124.87 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.621 ' CD2' ' CD1' ' A' ' 85' ' ' PHE . 3.2 mp -100.66 115.37 30.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.57 104.49 0.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 99' ' ' ALA . 47.5 mt -83.86 99.07 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 111.132 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 33.4 m -64.79 157.8 72.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.732 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 4.29 2.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.4 p -104.91 21.85 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.6 mmpt? 62.2 48.93 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 100' ' ' PHE . 33.9 m170 -148.62 125.43 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.46 ' HB2' HG12 ' A' ' 93' ' ' ILE . . . -106.8 146.76 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.559 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 44.1 m-85 -147.87 155.23 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 102' ' ' ARG . 32.0 m80 -58.08 121.97 11.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' HIS . 8.0 mmt180 -38.39 -34.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -78.55 -59.85 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.2 m -44.09 -62.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.465 ' HG ' HD11 ' A' ' 109' ' ' LEU . 14.4 tp -40.58 -63.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 72.7 mt -37.16 -53.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -57.44 -52.5 65.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.438 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 76.4 t-105 -57.7 -33.46 68.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.465 HD11 ' HG ' ' A' ' 105' ' ' LEU . 26.3 mt -75.01 -39.56 61.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -49.38 -34.07 15.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 112' ' ' ARG . 12.6 p -103.08 -49.15 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.591 ' HB3' HG22 ' A' ' 114' ' ' VAL . 73.9 mtt180 -128.54 112.63 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -78.22 46.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.591 HG22 ' HB3' ' A' ' 112' ' ' ARG . 34.5 m -132.24 176.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.5 t -93.24 124.82 56.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.438 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.3 Cg_endo -69.77 6.1 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.559 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 17.0 mt -113.15 -69.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.1 p -80.87 -20.93 41.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 48.0 t30 60.92 52.47 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 17.3 ptm -120.93 143.9 37.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.22 0 C-N-CA 122.663 2.242 . . . . 0.0 112.409 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.72 166.32 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.27 -40.51 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.89 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 13.4 p -107.21 -21.78 12.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.9 mt 61.81 53.75 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -136.59 136.95 39.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.38 147.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.819 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.486 ' CD1' HD22 ' A' ' 91' ' ' LEU . 45.3 m-85 -87.73 95.15 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 86' ' ' LYS . 4.4 mptp? -76.65 156.86 82.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.37 2.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -48.29 -38.78 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -91.03 133.88 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.94 142.17 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 85' ' ' PHE . 12.7 mt -117.25 115.22 24.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.73 108.1 3.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 70.7 mt -84.11 109.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.4 m -68.15 160.53 74.41 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 4.19 2.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.284 . . . . 0.0 112.348 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.4 p -107.18 35.69 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 48.43 44.9 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.715 ' CD2' HD13 ' A' ' 117' ' ' LEU . 9.9 m80 -140.55 143.18 35.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.16 142.08 45.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.465 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 96.5 m-85 -149.16 149.52 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -61.25 134.69 57.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -40.41 -47.5 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 104' ' ' CYS . 17.3 mmmt -71.44 -64.26 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 103' ' ' LYS . 85.3 m -37.19 -44.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.76 -63.89 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.3 mt -43.53 -47.21 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -67.17 -56.76 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.464 ' CZ2' ' HB3' ' A' ' 116' ' ' PRO . 53.4 t-105 -49.49 -36.32 22.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.4 -37.24 74.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -53.37 -60.38 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.2 p -71.69 -49.75 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.936 ' HG2' HG22 ' A' ' 114' ' ' VAL . 3.4 ttm180 -127.12 114.75 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.21 46.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.936 HG22 ' HG2' ' A' ' 112' ' ' ARG . 5.4 m -148.96 168.84 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.1 t -76.95 125.61 86.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.464 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 53.5 Cg_endo -69.77 5.95 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.715 HD13 ' CD2' ' A' ' 98' ' ' HIS . 13.6 mt -112.79 -69.17 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.7 p -83.03 -27.74 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 74.59 38.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.3 ttt -103.15 136.86 19.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.517 0.675 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.34 0.131 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.78 0.324 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 41.9 t -60.56 110.46 1.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.593 ' O ' HD12 ' A' ' 82' ' ' LEU . . . -69.39 -22.84 63.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.418 HG11 ' HB3' ' A' ' 104' ' ' CYS . 23.0 t -61.44 -46.3 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.94 -1.59 12.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 79' ' ' ALA . 7.9 mp 56.63 54.17 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -138.33 165.89 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.33 162.26 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 37.6 m-85 -96.38 125.45 40.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -116.73 146.24 37.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -39.43 6.67 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.733 2.288 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -48.6 -37.36 17.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -100.2 116.51 32.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.51 141.95 4.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 101' ' ' HIS . 86.8 mt -132.04 132.24 43.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.3 118.76 5.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.454 HG13 ' HB2' ' A' ' 99' ' ' ALA . 4.8 mp -88.62 136.33 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 m -101.39 160.17 27.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.21 2.91 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.631 2.221 . . . . 0.0 112.332 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.79 25.76 11.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 0.0 OUTLIER 56.38 49.77 14.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 97' ' ' LYS . 35.7 m170 -149.01 122.92 9.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB2' HG13 ' A' ' 93' ' ' ILE . . . -112.09 148.38 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 98' ' ' HIS . 21.1 m-85 -147.33 140.16 24.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.673 ' HA ' HD23 ' A' ' 91' ' ' LEU . 44.8 m80 -40.06 125.96 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -39.78 -38.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 19.3 ptmt -74.78 -50.26 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 57.7 m -52.79 -53.88 42.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ILE . 14.7 tp -53.45 -64.95 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 105' ' ' LEU . 57.2 mt -37.68 -52.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -60.8 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.572 ' CE2' ' CB ' ' A' ' 112' ' ' ARG . 63.3 t-105 -47.67 -31.05 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.05 -38.99 79.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -44.57 -50.89 9.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 112' ' ' ARG . 33.8 m -104.9 -52.32 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.621 ' N ' HG23 ' A' ' 111' ' ' VAL . 21.2 mmt180 -90.33 94.86 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -81.7 39.87 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.1 m -149.0 175.47 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 4.7 t -82.04 124.36 78.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 8.66 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' ' 98' ' ' HIS . 13.3 mt -118.28 -66.64 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.7 p -85.19 -13.65 49.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 45.5 t30 60.03 47.6 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 21.3 mmt -113.57 154.11 45.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.691 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.874 0.369 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 85' ' ' PHE . 22.6 t -43.93 164.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.77 -34.86 6.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.7 t -71.26 -62.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.5 p -87.33 -23.44 24.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.9 mt 65.35 53.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -135.04 143.94 47.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -50.17 115.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 78' ' ' CYS . 44.8 m-85 -51.42 164.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -137.68 142.64 37.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.529 0.68 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -37.17 9.64 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -46.23 -39.65 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -81.58 160.76 23.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' LEU . 20.4 mt-10 -87.5 62.13 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' GLU . 34.5 mt -37.51 109.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.78 115.43 4.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.43 136.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 77.0 m -97.27 156.15 36.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.711 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 4.48 2.17 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 20.2 p -111.85 25.41 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mttt 59.41 38.4 22.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 44.7 m170 -134.85 127.85 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.22 150.55 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.68 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 66.6 m-85 -150.7 163.62 38.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 104' ' ' CYS . 19.8 m80 -68.3 132.22 46.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -37.96 -42.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 104' ' ' CYS . 26.6 tptt -78.3 -66.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' LYS . 88.0 m -33.58 -58.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -47.49 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.756 ' HA ' HD12 ' A' ' 109' ' ' LEU . 72.6 mt -41.57 -55.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -50.49 -47.66 57.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.559 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 71.7 t-105 -62.89 -46.0 89.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 106' ' ' ILE . 27.3 mt -52.37 -36.94 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.78 -61.46 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 112' ' ' ARG . 30.1 m -62.52 -43.71 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.495 ' HG2' HG22 ' A' ' 114' ' ' VAL . 11.4 ttm180 -143.72 124.04 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -79.23 45.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.495 HG22 ' HG2' ' A' ' 112' ' ' ARG . 5.1 m -138.82 168.68 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 28.7 t -82.57 125.85 75.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.559 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.1 Cg_endo -69.85 7.27 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.68 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 16.0 mt -112.9 -66.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.0 p -85.16 -15.23 44.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 15.3 m-80 60.34 42.99 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.7 ttt -112.08 133.34 21.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.757 2.305 . . . . 0.0 112.333 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.622 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.81 0.338 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 85' ' ' PHE . 19.5 t -44.93 165.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.68 -26.44 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.3 t -84.61 -59.37 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.0 p -89.02 -24.31 22.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.7 mt 63.34 52.84 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 84' ' ' ASP . 14.4 mt-10 -133.21 135.56 45.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 83' ' ' GLU . 32.0 m-20 -38.13 127.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 78' ' ' CYS . 13.6 m-85 -72.21 146.24 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -134.12 144.87 53.25 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -37.48 9.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -47.82 -39.21 17.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.46 131.17 37.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -58.13 123.98 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.44 159.98 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.62 107.25 0.86 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.1 mt -84.95 121.34 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.788 0.327 . . . . 0.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.35 161.51 54.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.57 3.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.338 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.2 p -103.26 26.89 7.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.31 42.42 31.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 23.0 m170 -140.32 128.3 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.32 144.22 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 54.3 m-85 -147.76 141.28 25.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 103' ' ' LYS . 44.7 m80 -49.91 123.44 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.483 ' O ' HD12 ' A' ' 106' ' ' ILE . 0.7 OUTLIER -37.09 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' HIS . 52.4 mtmt -82.85 -55.05 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 67.5 m -47.75 -51.41 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.8 tp -55.15 -59.8 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 102' ' ' ARG . 71.4 mt -48.44 -48.39 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -60.12 -55.17 37.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -53.12 -49.46 66.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -40.95 -54.77 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -38.77 -43.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.402 HG12 ' HG3' ' A' ' 112' ' ' ARG . 73.6 t -77.79 -66.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.402 ' HG3' HG12 ' A' ' 111' ' ' VAL . 79.9 mtt180 -118.6 139.23 51.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -92.27 39.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.3 m -142.67 167.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 117' ' ' LEU . 50.2 t -74.15 128.45 86.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 11.32 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.349 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 98' ' ' HIS . 39.2 mt -121.82 -62.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.2 -14.12 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 21.3 m-20 60.59 41.3 15.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.2 136.28 21.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 84' ' ' ASP . 12.3 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.886 0.374 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 17.2 t -43.89 165.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.23 -35.33 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.6 t -68.29 -45.68 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 19.0 p -107.29 -18.37 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 mt 55.57 52.3 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' ASP . 15.8 mt-10 -131.32 127.83 38.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.507 ' HA ' HD23 ' A' ' 77' ' ' LEU . 3.2 m-20 -36.61 123.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.433 ' CD1' HD22 ' A' ' 91' ' ' LEU . 41.6 m-85 -53.66 137.91 36.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -123.57 144.96 45.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -30.46 22.22 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -52.12 -40.02 60.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.48 159.11 15.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 10.7 tp10 -85.41 94.8 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 85' ' ' PHE . 12.8 mt -69.1 103.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.95 113.76 3.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.3 mm -85.07 135.22 25.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.59 162.27 28.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.8 2.54 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.396 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 p -108.47 27.44 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt 58.58 29.78 18.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 117' ' ' LEU . 12.2 m170 -114.07 159.94 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.1 136.26 54.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 93.5 m-85 -148.88 150.02 32.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.429 ' HD2' HD23 ' A' ' 91' ' ' LEU . 37.9 m80 -72.11 134.93 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 101' ' ' HIS . 10.5 mtp180 -36.1 -55.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' CYS . 6.0 tptp -64.25 -63.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' LYS . 58.8 m -36.38 -47.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 106' ' ' ILE . 13.4 tp -68.41 -69.48 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' LEU . 91.4 mt -36.71 -49.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -65.12 -58.21 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -46.84 -55.85 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.7 mt -39.7 -46.58 1.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -48.32 -56.12 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.36 -58.52 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.511 ' HB3' HG22 ' A' ' 114' ' ' VAL . 51.3 mtt180 -126.64 122.02 33.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -79.35 46.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' A' ' 112' ' ' ARG . 27.2 m -143.65 174.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 3.7 t -87.46 124.77 67.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.731 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 9.69 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 98' ' ' HIS . 12.1 mt -124.0 -51.79 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.72 15.09 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 11.2 t-20 38.61 41.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.439 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 14.6 ttt -91.98 139.73 24.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 84' ' ' ASP . 15.2 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 82' ' ' LEU . 52.4 t -58.45 112.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.29 75.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 104' ' ' CYS . 39.4 t -54.17 -52.25 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 83' ' ' GLU . 28.9 p -116.35 19.46 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 78' ' ' CYS . 7.2 mt 36.91 55.02 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . 21.6 mt-10 -140.74 138.77 34.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -51.85 171.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 62.3 m-85 -102.74 134.02 46.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -125.17 153.27 71.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.65 27.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -56.88 -31.37 64.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' GLU . 2.4 m-20 -116.56 110.54 18.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' ASP . 3.2 tp10 -35.91 141.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.47 121.09 38.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.93 109.82 3.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.479 HG12 ' HB2' ' A' ' 99' ' ' ALA . 44.1 mt -88.25 120.28 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -80.03 162.4 62.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.28 . . . . 0.0 112.316 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.0 p -104.61 33.07 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt 52.98 38.93 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.741 ' CD2' HD13 ' A' ' 117' ' ' LEU . 9.0 m170 -132.82 158.84 41.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.479 ' HB2' HG12 ' A' ' 93' ' ' ILE . . . -138.88 143.06 38.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.462 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 47.8 m-85 -150.05 163.19 38.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -67.27 133.59 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -39.74 -46.37 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 104' ' ' CYS . 30.9 mmtt -71.72 -67.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 103' ' ' LYS . 96.1 m -33.91 -48.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.96 -65.31 0.7 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.8 mt -39.99 -58.9 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -54.28 -51.44 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 72.0 t-105 -51.72 -39.29 58.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.15 -39.81 90.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -43.96 -47.85 8.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.63 HG23 ' N ' ' A' ' 112' ' ' ARG . 34.9 m -94.84 -52.5 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.63 ' N ' HG23 ' A' ' 111' ' ' VAL . 20.2 mtt180 -115.29 104.08 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -76.85 45.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.473 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 33.2 m -141.05 175.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.0 t -87.05 126.37 63.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.607 0.718 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 7.35 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.741 HD13 ' CD2' ' A' ' 98' ' ' HIS . 16.8 mt -117.46 -69.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.8 p -81.22 -22.04 39.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 62.3 47.91 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 74.8 mtp -117.09 146.68 38.6 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.6 0.715 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.746 2.297 . . . . 0.0 112.324 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.633 HD22 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.892 0.377 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' LEU . 45.5 t -59.38 111.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -13.72 35.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.52 -60.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.4 p -101.35 14.8 30.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' CYS . 8.3 mt 37.12 54.5 1.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -140.69 140.88 35.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -46.97 169.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -102.51 106.8 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -87.7 149.2 45.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -30.66 21.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -54.95 -36.76 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.83 139.39 34.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.619 ' O ' HD23 ' A' ' 91' ' ' LEU . 4.9 mp0 -53.73 -177.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 90' ' ' GLU . 41.6 mt -149.92 115.87 5.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.77 108.19 3.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.6 mt -87.83 108.54 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.7 m -68.29 160.22 76.6 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.59 0.71 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 2.09 3.84 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.0 p -103.48 25.64 9.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 25.62 15.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 5.4 m170 -116.77 154.72 30.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -127.47 140.69 51.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 64.5 m-85 -150.8 159.88 44.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -63.34 126.18 26.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.488 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.2 mmp_? -49.56 -20.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 34.3 pttt -91.45 -40.24 11.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 85.8 m -70.45 -49.29 50.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 tp -53.39 -53.91 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 102' ' ' ARG . 86.9 mt -48.36 -47.31 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -65.86 -56.2 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' A' ' 116' ' ' PRO . 57.0 t-105 -54.83 -29.77 55.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 109' ' ' LEU . 14.5 mt -65.92 -39.06 90.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.96 -59.62 5.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 112' ' ' ARG . 19.5 m -59.23 -41.81 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.856 ' HG2' HG22 ' A' ' 114' ' ' VAL . 10.0 ttm180 -140.28 126.84 20.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HE2' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -84.33 47.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.856 HG22 ' HG2' ' A' ' 112' ' ' ARG . 16.1 m -148.63 171.2 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 10.9 t -78.57 133.79 62.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.45 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.77 6.68 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.53 -76.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 119' ' ' ASN . 26.6 p -70.69 -3.19 17.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 118' ' ' CYS . 4.4 p30 46.57 48.46 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.6 tpp -123.28 137.03 27.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.01 166.3 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.454 ' HA ' HD23 ' A' ' 82' ' ' LEU . . . -116.2 -36.02 4.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.87 -52.82 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.2 p -98.72 -23.97 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 79' ' ' ALA . 16.3 mt 62.21 52.18 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASP . 15.0 mm-40 -134.07 131.71 39.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -35.65 145.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -86.09 149.31 25.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -134.58 147.35 62.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.15 6.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -47.26 -38.67 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.32 124.89 44.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -44.07 156.32 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.1 mt -136.32 118.08 15.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.17 111.07 3.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.7 mp -87.59 121.16 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.43 157.35 75.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.666 0.746 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.56 2.7 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.1 p -110.37 32.28 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp 52.61 47.19 25.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.683 ' CD2' HD13 ' A' ' 117' ' ' LEU . 22.1 m170 -145.81 120.58 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.53 150.4 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 97.3 m-85 -150.32 165.47 32.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' ARG . 34.0 m80 -72.2 126.59 30.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.461 ' O ' HD12 ' A' ' 106' ' ' ILE . 2.5 mmp_? -37.14 -38.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -77.55 -58.66 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 65.6 m -42.9 -57.41 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -48.69 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.572 ' HA ' HD12 ' A' ' 109' ' ' LEU . 58.5 mt -39.89 -55.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -52.31 -48.16 65.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.48 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 67.3 t-105 -65.91 -31.13 71.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 106' ' ' ILE . 43.5 mt -68.54 -38.81 81.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.85 -50.15 57.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 112' ' ' ARG . 28.0 m -75.62 -47.91 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.536 ' N ' HG23 ' A' ' 111' ' ' VAL . 21.7 ttt85 -148.37 130.75 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.499 ' HA ' HD23 ' A' ' 109' ' ' LEU . 3.2 mptp? -84.29 68.12 10.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 3.3 m -147.12 165.58 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.445 ' HG ' ' HE2' ' A' ' 100' ' ' PHE . 45.8 t -81.29 127.19 74.63 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.753 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.597 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.4 Cg_endo -69.84 7.69 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' A' ' 98' ' ' HIS . 15.0 mt -115.25 -66.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 19.8 p -85.98 -12.76 49.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 26.8 t30 64.66 32.18 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -105.83 134.05 19.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.556 ' N ' ' CE2' ' A' ' 85' ' ' PHE . 13.4 t -53.23 166.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.06 -32.32 5.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.77 -53.84 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.6 -23.72 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.6 mt 66.04 46.64 2.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -129.14 137.2 51.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -41.81 147.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CE2' ' N ' ' A' ' 78' ' ' CYS . 33.3 m-85 -94.31 134.86 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -119.99 152.52 54.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -33.52 16.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -49.35 -40.15 34.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -95.17 133.24 39.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 8.4 tt0 -60.15 133.62 56.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.56 125.83 51.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.91 120.35 6.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.47 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.73 139.28 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.764 0.316 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.19 161.68 22.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.574 0.702 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.68 4.26 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 p -111.21 29.93 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt 52.45 46.15 27.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 17.7 m170 -140.02 136.1 33.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.52 144.38 42.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.69 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 94.1 m-85 -147.07 155.33 42.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' ARG . 35.9 m80 -57.6 125.97 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' HIS . 11.8 mmt180 -36.91 -39.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -77.07 -60.64 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.5 m -39.17 -53.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.1 tp -54.86 -56.17 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.6 mt -48.27 -48.21 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -63.26 -57.32 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 112' ' ' ARG . 76.3 t-105 -47.42 -48.74 26.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.3 mt -50.16 -32.15 15.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.69 -62.58 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 112' ' ' ARG . 14.0 p -80.63 -50.38 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.605 ' N ' HG13 ' A' ' 111' ' ' VAL . 7.5 mmm180 -114.53 108.64 17.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -81.02 43.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.489 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 28.7 m -147.21 175.94 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 42.5 t -73.3 125.25 90.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.658 0.742 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.401 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.5 Cg_endo -69.75 12.78 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.69 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 15.5 mt -125.45 -57.4 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.453 ' O ' ' ND2' ' A' ' 119' ' ' ASN . 30.4 p -105.18 5.51 32.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 118' ' ' CYS . 1.0 OUTLIER 46.64 27.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.416 ' CB ' ' SG ' ' A' ' 118' ' ' CYS . 3.7 tpt -73.71 135.45 77.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.549 0.69 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.808 0.337 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.26 163.73 6.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.7 -37.17 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.18 -60.41 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.5 p -91.9 -26.67 18.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 mt 64.71 51.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' ASP . 65.5 mm-40 -126.93 126.07 42.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -36.76 112.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -46.45 139.88 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -127.55 145.62 55.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -41.0 4.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -47.3 -37.31 10.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -97.44 137.84 35.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.75 139.27 58.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.1 mt -122.96 131.07 53.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.84 113.57 4.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 99' ' ' ALA . 44.2 mm -85.41 110.79 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -66.65 161.87 56.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.95 2.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.747 2.298 . . . . 0.0 112.333 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 p -106.47 30.56 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt 50.9 43.53 28.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.564 ' CD2' HD13 ' A' ' 117' ' ' LEU . 4.5 m170 -129.34 147.74 51.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.613 ' HA ' HD13 ' A' ' 93' ' ' ILE . . . -106.9 138.55 42.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.733 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 82.2 m-85 -150.31 156.94 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -77.71 134.02 38.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.529 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.4 mmp_? -42.97 -33.63 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -83.77 -55.74 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.5 m -46.02 -54.88 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.455 HD23 ' NH2' ' A' ' 102' ' ' ARG . 19.5 tp -52.28 -54.13 35.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 102' ' ' ARG . 70.3 mt -54.17 -51.27 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -57.52 -44.94 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.447 ' CE2' ' HB3' ' A' ' 116' ' ' PRO . 76.0 t-105 -62.57 -57.37 11.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 106' ' ' ILE . 44.3 mt -37.05 -48.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -40.76 -59.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.51 -62.07 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.621 ' HB3' HG22 ' A' ' 114' ' ' VAL . 36.7 mtt85 -129.16 139.3 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.96 36.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.621 HG22 ' HB3' ' A' ' 112' ' ' ARG . 35.0 m -131.67 162.15 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 39.4 t -74.58 127.62 87.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.447 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 53.4 Cg_endo -69.8 6.76 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.733 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 29.0 mt -114.32 -69.57 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.3 p -81.57 -12.07 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 36.6 t30 60.44 44.58 11.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.3 ttt -125.73 136.72 28.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.712 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 53.6 t -50.9 120.9 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.49 19.29 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.3 -42.35 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 27.9 p -119.22 1.64 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.3 mt 53.76 55.04 8.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -141.55 140.22 33.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -54.43 157.16 2.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 28.1 m-85 -93.62 147.34 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -141.19 145.83 40.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -36.75 10.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.328 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -48.33 -38.09 18.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.76 175.38 6.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.404 ' C ' ' HG ' ' A' ' 91' ' ' LEU . 19.2 pt-20 -83.92 157.09 22.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 85' ' ' PHE . 22.7 mt -153.23 136.5 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.27 106.27 2.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 77.2 mt -84.22 118.2 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.5 m -81.67 162.63 57.31 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.6 0.715 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 5.06 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.7 p -107.21 32.01 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm 52.62 41.71 31.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 10.3 m170 -133.64 149.73 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.19 138.7 53.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.561 ' HZ ' HD12 ' A' ' 117' ' ' LEU . 68.6 m-85 -149.97 141.04 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -49.48 121.92 5.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -38.49 -40.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -71.67 -45.64 61.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 54.0 m -59.71 -56.07 26.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 100' ' ' PHE . 12.3 tp -46.73 -54.93 8.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.634 ' HA ' HD12 ' A' ' 109' ' ' LEU . 68.6 mt -49.87 -60.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -42.81 61.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.422 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 71.9 t-105 -65.08 -38.49 90.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 106' ' ' ILE . 13.5 mt -64.54 -31.42 72.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.04 -60.32 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.1 p -76.32 -48.68 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.543 ' N ' HG13 ' A' ' 111' ' ' VAL . 20.0 mtm180 -127.94 112.85 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 113' ' ' LYS . 3.7 mppt? -80.98 42.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.465 HG22 ' HB3' ' A' ' 112' ' ' ARG . 34.9 m -132.26 175.98 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 5.7 t -87.3 128.29 55.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 9.83 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.561 HD12 ' HZ ' ' A' ' 100' ' ' PHE . 18.9 mt -127.98 -57.87 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 119' ' ' ASN . 31.6 p -104.27 16.98 25.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 118' ' ' CYS . 2.1 p30 32.03 52.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 57.0 mtp -104.41 144.03 27.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.859 0.362 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 50.4 t -58.51 125.34 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.33 19.69 7.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 104' ' ' CYS . 58.5 t -110.88 -38.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.7 p -123.55 9.06 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt 48.24 55.02 9.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -142.17 168.08 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.75 148.26 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -75.83 157.59 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -144.49 152.44 53.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -34.99 13.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -49.29 -36.45 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -105.04 151.13 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.42 146.71 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -120.0 145.35 46.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.24 108.98 1.35 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.1 mt -85.89 116.98 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.51 162.2 69.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.37 2.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.8 p -104.95 32.46 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.76 46.08 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 14.0 m170 -144.13 141.79 30.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.31 142.97 45.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 98.8 m-85 -146.81 155.32 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 103' ' ' LYS . 29.5 m80 -58.2 122.88 14.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.564 ' O ' HD12 ' A' ' 106' ' ' ILE . 6.8 mmt85 -37.24 -31.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' HIS . 51.3 tttt -84.4 -60.47 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.481 ' HB3' HG11 ' A' ' 80' ' ' VAL . 88.4 m -43.41 -47.42 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.71 -54.49 45.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 102' ' ' ARG . 61.4 mt -52.61 -49.89 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -58.79 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' LEU . 60.1 t-105 -47.94 -54.74 11.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 106' ' ' ILE . 35.5 mt -34.38 -50.23 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -46.73 -65.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.54 -47.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -134.75 118.12 16.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.34 37.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 121' ' ' PRO . 34.4 m -140.13 170.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.68 127.78 79.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 7.73 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.7 mt -117.07 -67.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 23.8 p -84.77 -25.35 28.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.87 38.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.06 136.62 22.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.692 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.595 ' HA ' HG12 ' A' ' 114' ' ' VAL . 54.3 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.851 0.358 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.2 t -67.48 164.65 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.69 -30.01 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -75.04 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.6 p -87.1 -25.67 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mt 65.0 49.12 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -130.25 136.05 48.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -41.07 122.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -51.62 163.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -144.26 144.84 27.16 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.23 9.45 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -46.63 -39.49 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.24 143.65 27.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -74.29 62.7 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 90' ' ' GLU . 68.3 mt -34.0 101.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.16 125.06 6.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.45 131.01 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.26 160.72 39.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.21 2.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.262 . . . . 0.0 112.317 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 p -112.2 35.93 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt 48.26 42.87 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.655 ' CD2' HD13 ' A' ' 117' ' ' LEU . 32.7 m170 -136.96 123.51 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.48 150.0 23.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.523 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 81.6 m-85 -150.79 161.29 42.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' ARG . 23.0 m80 -70.1 131.38 44.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' HIS . 12.7 mmm180 -37.18 -40.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -78.9 -64.49 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 84.8 m -37.36 -48.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.49 -63.63 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 53.8 mt -43.1 -56.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.99 -53.04 29.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.545 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 75.4 t-105 -57.4 -46.21 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.9 mt -54.69 -39.11 67.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -55.57 -64.31 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.601 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.4 p -64.82 -53.51 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.601 ' N ' HG13 ' A' ' 111' ' ' VAL . 23.2 mtm180 -127.05 129.89 48.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -88.73 43.83 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.545 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 33.8 m -135.11 173.98 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 30.1 t -89.44 129.66 46.49 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.725 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.523 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.6 Cg_endo -69.78 6.59 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.655 HD13 ' CD2' ' A' ' 98' ' ' HIS . 15.9 mt -114.77 -72.22 0.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.3 p -78.07 -20.37 52.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 12.9 m-20 60.74 47.76 7.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.3 mmt -113.15 150.93 43.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.546 0.688 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 32.3 t -47.69 164.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.864 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -115.58 -34.73 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.8 t -66.53 -46.41 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.1 p -110.11 -26.08 9.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt 66.43 54.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -135.16 126.08 27.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -40.54 127.93 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.766 ' HD2' HD22 ' A' ' 91' ' ' LEU . 93.8 m-85 -60.31 146.65 43.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -135.72 152.45 76.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -33.54 16.42 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.728 2.285 . . . . 0.0 112.328 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -52.59 -32.95 43.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -114.42 130.44 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.8 mm-40 -48.14 160.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.766 HD22 ' HD2' ' A' ' 85' ' ' PHE . 42.3 mt -136.69 110.83 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.33 106.05 3.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 61.4 mt -88.71 122.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.24 161.55 69.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.5 2.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.3 p -107.16 36.35 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt 51.25 35.26 13.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 6.1 m170 -123.83 148.53 46.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.18 144.43 49.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 56.7 m-85 -150.63 162.49 40.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -76.54 136.34 39.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -45.79 -32.93 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 13.7 ptpt -84.08 -36.23 23.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 30.7 m -65.98 -54.18 29.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.56 -66.89 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.58 ' HA ' HD12 ' A' ' 109' ' ' LEU . 98.0 mt -42.39 -55.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -57.52 -39.57 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.471 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 77.0 t-105 -65.45 -38.85 91.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 106' ' ' ILE . 32.3 mt -60.63 -28.01 68.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -62.11 -62.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.8 p -70.21 -45.57 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.499 ' N ' HG13 ' A' ' 111' ' ' VAL . 58.8 mtm-85 -136.28 119.85 17.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.23 35.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 112' ' ' ARG . 27.5 m -129.98 173.85 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 3.6 t -82.06 125.73 76.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.471 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.71 9.04 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.391 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.864 HD21 ' HB2' ' A' ' 79' ' ' ALA . 92.6 mt -125.8 -52.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 119' ' ' ASN . 30.8 p -111.74 19.27 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 118' ' ' CYS . 2.0 p30 33.22 52.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.8 mmm -104.51 144.41 28.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.9 t -125.07 130.13 51.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.936 0.398 . . . . 0.0 110.836 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.2 p -152.61 126.1 8.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 152.31 40.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.437 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -45.87 105.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 t -162.7 152.24 15.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.41 166.34 34.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.58 122.63 27.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 69' ' ' VAL . 12.7 p -116.77 127.74 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.102 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -127.2 88.77 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 72' ' ' LEU . 6.5 tp10 -132.2 98.88 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 71' ' ' GLU . 46.9 mt -34.57 129.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -77.63 143.12 38.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mt -141.49 162.49 35.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.405 ' CD2' ' H ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -107.15 39.32 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 77' ' ' LEU . 5.9 tp10 -145.24 113.7 6.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 76' ' ' GLU . 8.9 mt -140.77 134.0 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -42.5 164.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.74 -36.59 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.77 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.8 p -89.15 -27.97 20.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.6 mt 66.88 54.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -133.67 133.34 41.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -41.43 122.71 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -57.6 140.45 50.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -122.09 146.8 47.48 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -36.39 11.12 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.397 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -49.4 -40.37 35.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -95.02 142.54 27.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -67.76 148.26 51.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.9 mt -120.14 126.48 50.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.91 121.3 7.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.443 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.67 135.81 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.771 0.32 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.39 162.12 21.49 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 3.51 2.76 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.7 p -112.94 31.38 6.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt 49.83 42.84 24.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 100' ' ' PHE . 32.8 m170 -137.19 121.64 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.5 144.09 32.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 98' ' ' HIS . 41.6 m-85 -144.68 167.8 21.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -67.8 130.43 42.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.672 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -42.79 -34.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -80.68 -52.79 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 69.7 m -50.77 -48.81 59.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.8 tp -60.9 -66.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 102' ' ' ARG . 59.7 mt -39.14 -49.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.139 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.9 mmmm -65.64 -62.79 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.439 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 62.9 t-105 -46.29 -29.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 106' ' ' ILE . 30.5 mt -68.79 -35.18 76.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -63.88 -53.19 54.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.7 m -75.12 -33.24 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.8 mtt85 -147.97 107.29 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -75.9 48.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.439 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 20.3 m -143.68 166.7 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 20.9 t -82.71 126.37 73.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.43 2.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.688 2.259 . . . . 0.0 112.305 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 117' ' ' LEU . 12.6 mt -110.87 -71.16 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.3 p -79.6 -29.19 41.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 73.06 43.1 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.43 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 3.1 ttt -105.54 141.24 22.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.9 Cg_endo -69.75 108.36 2.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.9 t -111.82 84.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.0 mp -105.54 -47.87 3.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -121.18 137.84 54.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.07 102.92 5.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.45 87.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -52.97 144.14 15.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.7 mt -87.33 86.13 7.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 58.0 m -89.57 -57.31 2.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -144.31 165.47 27.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 7.99 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.6 m -77.75 51.83 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.7 t -140.01 127.1 20.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 34.0 m -149.68 149.51 30.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.376 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 t -161.47 170.7 19.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.9 109.15 1.96 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -140.56 108.89 5.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -112.86 124.58 52.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.49 77.54 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -83.12 111.16 18.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 69' ' ' VAL . 10.3 p -69.65 115.59 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -172.58 153.29 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -66.6 118.77 10.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.3 mt -105.81 123.86 48.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -87.19 162.3 17.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.16 126.05 35.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -132.62 177.76 7.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -67.06 97.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.564 HD22 ' HA ' ' A' ' 84' ' ' ASP . 23.9 mt -92.26 136.59 33.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 52.6 t -44.16 124.73 4.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.66 20.57 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.9 t -111.3 -41.69 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 31.7 p -117.37 -9.92 10.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.7 mt 61.25 49.33 5.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -138.29 125.54 21.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.564 ' HA ' HD22 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -40.8 142.31 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 36.1 m-85 -74.34 144.73 44.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -132.11 149.81 74.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.56 0.695 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -39.18 6.87 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.716 2.277 . . . . 0.0 112.354 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.8 mtp180 -47.17 -39.76 14.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -99.74 128.21 45.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -49.26 139.29 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' A' ' 85' ' ' PHE . 42.8 mt -119.72 117.71 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.5 106.01 3.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.411 HG12 ' HB2' ' A' ' 99' ' ' ALA . 98.2 mt -83.79 138.84 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.319 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 36.2 m -99.35 158.02 32.97 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.589 0.709 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 6.09 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.325 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.3 p -111.7 28.67 8.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp 55.9 43.7 27.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.63 ' CD2' HD13 ' A' ' 117' ' ' LEU . 21.0 m170 -141.52 124.08 15.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.411 ' HB2' HG12 ' A' ' 93' ' ' ILE . . . -106.42 150.01 26.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.508 ' HB2' HD13 ' A' ' 105' ' ' LEU . 89.6 m-85 -150.99 163.78 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 102' ' ' ARG . 43.2 m80 -73.87 128.57 35.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 101' ' ' HIS . 22.0 mmt85 -36.75 -45.67 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -70.63 -54.85 10.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.5 m -47.07 -52.18 15.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 100' ' ' PHE . 10.4 tp -56.49 -60.79 3.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 67.8 mt -44.71 -43.27 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -67.2 -54.52 20.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 109' ' ' LEU . 67.9 t-105 -53.79 -58.22 8.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 108' ' ' TRP . 56.2 mt -34.97 -54.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -40.43 -57.42 1.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.8 t -58.94 -48.49 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.652 ' HB3' HG22 ' A' ' 114' ' ' VAL . 29.5 mtt180 -149.62 128.17 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -76.7 47.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.652 HG22 ' HB3' ' A' ' 112' ' ' ARG . 31.6 m -139.4 176.11 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.3 t -89.08 128.38 51.99 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 4.62 2.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.342 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.63 HD13 ' CD2' ' A' ' 98' ' ' HIS . 14.3 mt -113.86 -71.16 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.5 p -79.57 -29.31 41.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 71.11 47.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 8.4 mmm -115.89 150.17 44.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.559 0.695 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 111.51 2.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.393 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.1 p -144.09 132.28 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.6 mp -132.46 -58.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -67.82 104.05 1.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 93.6 mt -75.18 96.78 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.03 -44.98 64.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.425 ' O ' HD23 ' A' ' 128' ' ' LEU . 33.5 mt-30 61.66 39.56 14.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 127' ' ' GLN . 25.1 mt -128.11 81.92 2.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 52.9 p -61.41 157.8 16.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 167.66 90.8 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -177.3 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -46.79 159.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.792 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.1 m -51.99 -61.33 2.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.54 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.9 p -78.02 96.08 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -73.0 -32.32 65.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.64 43.5 3.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 t -95.52 143.95 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.8 p -139.5 167.77 21.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.11 86.8 1.14 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -125.66 91.49 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.95 139.16 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.21 135.86 57.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -140.76 125.28 17.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 72' ' ' LEU . 4.4 pp -47.18 165.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -161.16 147.05 14.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.4 mt -92.95 166.41 12.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -54.4 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -140.7 133.02 28.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mt -110.39 152.41 26.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 50.5 t -72.81 109.08 6.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.72 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.85 -54.2 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 82' ' ' LEU . 30.8 p -113.44 22.67 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 78' ' ' CYS . 6.8 mt 32.39 55.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -147.91 135.82 21.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.01 168.67 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 38.1 m-85 -97.88 147.76 24.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -118.53 148.08 43.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.573 0.701 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -37.58 8.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.235 . . . . 0.0 112.321 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -48.59 -39.57 24.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.48 145.52 28.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -69.85 134.45 48.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 85' ' ' PHE . 20.3 mt -115.98 127.83 55.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.32 108.73 3.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.08 115.52 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.751 0.31 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 26.0 m -72.54 158.0 88.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.623 0.725 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 4.07 2.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.316 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 23.9 p -107.61 33.59 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 51.36 41.1 27.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.684 ' CD2' HD13 ' A' ' 117' ' ' LEU . 29.5 m170 -139.5 128.11 23.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.47 147.1 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 85.8 m-85 -150.77 152.49 33.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -59.7 127.42 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -38.68 -36.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -79.23 -56.45 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -48.49 -36.67 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.3 tp -72.69 -62.41 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 53.7 mt -49.94 -36.72 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -76.69 -46.32 26.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.477 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 51.7 t-105 -58.83 -38.43 78.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.14 -24.96 65.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.74 -61.05 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.7 -32.3 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.566 ' HB3' HG22 ' A' ' 114' ' ' VAL . 53.2 mtt180 -151.26 110.02 3.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -76.14 47.79 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.566 HG22 ' HB3' ' A' ' 112' ' ' ARG . 33.9 m -136.74 176.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 38.1 t -91.26 126.4 54.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 6.43 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.684 HD13 ' CD2' ' A' ' 98' ' ' HIS . 17.1 mt -113.31 -68.16 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 12.6 p -83.55 -21.09 32.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 60.6 m-80 62.61 39.77 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.1 mmt -108.38 145.49 31.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 111.73 2.88 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.337 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.1 p -147.66 133.89 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.3 mp -127.8 141.96 51.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.955 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -125.18 79.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.765 HD12 ' HB3' ' A' ' 127' ' ' GLN . 0.4 OUTLIER -61.56 134.08 56.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.713 ' N ' HD13 ' A' ' 125' ' ' LEU . . . -77.74 45.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.765 ' HB3' HD12 ' A' ' 125' ' ' LEU . 23.0 pt20 -117.67 163.07 17.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.0 mt -85.34 94.42 8.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.5 m -134.75 134.41 40.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -91.44 175.16 38.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.499 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 116.42 4.55 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.737 2.291 . . . . 0.0 112.331 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.1 p -156.78 136.92 12.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.5 t -45.46 -56.54 4.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.7 p -126.2 125.53 42.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.5 p -150.11 135.64 18.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.34 71.64 0.99 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 m -155.95 162.94 40.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.8 t -47.93 133.48 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.829 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.28 -41.02 12.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -86.36 87.64 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 74.6 t -142.97 120.31 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -149.46 105.35 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -167.66 123.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.99 96.51 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -160.98 115.17 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.1 mt -55.26 175.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -86.31 81.5 8.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.89 40.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 84' ' ' ASP . 5.5 mt -146.06 136.27 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.7 t -50.61 153.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.02 -27.48 12.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.53 -54.1 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.5 p -104.94 8.29 34.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt 42.55 54.93 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -140.23 160.72 39.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.531 ' HA ' HD23 ' A' ' 77' ' ' LEU . 14.9 p-10 -70.38 151.58 45.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.441 ' CD1' HD22 ' A' ' 91' ' ' LEU . 65.3 m-85 -81.38 150.53 28.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -135.68 150.34 71.65 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -38.68 7.47 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -49.31 -35.89 19.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -106.55 114.12 28.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -42.79 120.17 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD22 ' CD1' ' A' ' 85' ' ' PHE . 25.9 mt -94.99 108.37 20.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -77.39 119.92 5.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.465 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 16.0 mm -95.38 113.83 30.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.79 0.328 . . . . 0.0 111.161 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -72.54 160.13 83.59 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.6 0.715 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 3.45 2.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.25 . . . . 0.0 112.399 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 16.1 p -106.33 29.21 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.7 mmtt 54.39 41.61 31.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.693 ' CD2' HD13 ' A' ' 117' ' ' LEU . 5.1 m80 -132.93 143.4 49.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB2' ' CD1' ' A' ' 93' ' ' ILE . . . -107.75 141.64 38.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 84.9 m-85 -150.46 157.07 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -73.41 127.97 34.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -38.58 -37.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -77.14 -51.94 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 34.9 m -50.74 -58.45 5.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.0 tp -49.51 -57.74 6.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 81.5 mt -45.81 -48.32 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -63.99 -55.12 24.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.529 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 77.2 t-105 -53.29 -33.26 52.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 76.6 mt -67.99 -37.52 81.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -55.51 -47.46 76.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.623 HG13 ' N ' ' A' ' 112' ' ' ARG . 11.1 p -83.07 -51.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.623 ' N ' HG13 ' A' ' 111' ' ' VAL . 65.5 mtt180 -128.67 122.2 30.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -82.81 45.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.529 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 29.3 m -141.37 171.52 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 42.2 t -82.37 127.36 71.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.643 0.735 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.524 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.3 Cg_endo -69.72 10.56 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.693 HD13 ' CD2' ' A' ' 98' ' ' HIS . 14.1 mt -120.56 -67.75 0.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.6 p -85.89 -9.85 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 2.8 m120 54.65 41.74 31.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.421 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 12.6 ttp -100.65 138.63 20.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.603 0.716 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.487 ' HA ' HG12 ' A' ' 114' ' ' VAL . 53.1 Cg_endo -69.75 111.04 2.7 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.704 2.27 . . . . 0.0 112.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.06 103.37 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -115.83 107.32 14.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -133.71 139.2 46.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -82.62 42.9 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.77 -42.7 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.56 126.14 35.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.641 HD12 ' HB2' ' A' ' 129' ' ' SER . 4.1 pp -124.27 -42.32 2.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.641 ' HB2' HD12 ' A' ' 128' ' ' LEU . 22.7 t -140.4 119.38 12.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -95.58 156.87 21.66 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.512 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -46.98 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.314 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.6 t -94.36 121.06 35.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.8 m -124.64 136.38 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -100.45 139.48 36.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.936 0.398 . . . . 0.0 110.838 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.6 t -138.58 161.45 37.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.18 168.31 41.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.3 t -144.1 154.04 42.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.9 p -160.9 157.55 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.1 -163.07 18.93 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 68' ' ' LYS . 1.3 mppt? -105.56 143.14 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 69' ' ' VAL . 28.0 m -132.38 116.47 28.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt 37.24 45.29 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -93.15 124.78 37.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.81 138.96 58.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -107.16 83.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 tt -102.06 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.473 ' O ' ' C ' ' A' ' 76' ' ' GLU . 40.7 m80 -64.62 105.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 75' ' ' HIS . 18.4 mt-10 -31.61 108.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 mp -98.04 162.78 13.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . 31.3 t -55.06 163.76 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.87 -38.99 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 86.8 t -66.55 -62.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.19 -24.94 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 34.0 mt 63.25 54.59 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' ASP . 17.7 mt-10 -132.86 133.56 43.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.1 p-10 -36.88 130.6 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.561 ' CE2' ' HA ' ' A' ' 78' ' ' CYS . 22.6 m-85 -78.77 147.57 33.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -137.03 143.2 41.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.718 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -38.34 7.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.98 -39.89 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -90.14 141.05 29.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.59 136.41 57.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.6 mt -131.99 152.51 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.22 118.39 3.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.44 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.19 140.67 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.6 156.95 35.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.603 0.716 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 5.11 1.83 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.5 p -114.02 31.53 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 54.3 41.23 32.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.487 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 38.1 m170 -136.6 122.61 20.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.15 147.34 26.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.547 ' HB2' HD13 ' A' ' 105' ' ' LEU . 87.8 m-85 -146.28 167.95 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 102' ' ' ARG . 21.3 m80 -74.69 125.64 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 101' ' ' HIS . 26.0 mmm-85 -37.03 -42.58 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 104' ' ' CYS . 3.0 tppt? -74.57 -65.46 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 103' ' ' LYS . 89.0 m -36.98 -54.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 100' ' ' PHE . 10.7 tp -51.32 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.596 ' HA ' HD12 ' A' ' 109' ' ' LEU . 76.2 mt -38.38 -55.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -54.29 -49.59 69.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.557 ' O ' HG22 ' A' ' 111' ' ' VAL . 55.3 t-105 -62.58 -64.13 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 106' ' ' ILE . 21.7 mt -30.76 -44.06 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -50.83 -65.28 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 108' ' ' TRP . 27.3 m -59.4 -32.52 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.63 ' HB3' HG22 ' A' ' 114' ' ' VAL . 58.7 mtt180 -157.11 115.11 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -75.64 48.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 112' ' ' ARG . 34.0 m -137.96 161.91 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 31.6 t -74.39 125.72 89.58 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.543 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.9 Cg_endo -69.74 5.71 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.244 . . . . 0.0 112.354 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.517 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 12.6 mt -111.39 -70.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.6 p -79.43 -18.68 51.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 68.69 50.55 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.3 mmt -133.2 137.87 30.31 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.713 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 112.85 3.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' A' ' 123' ' ' LEU . 10.9 m -82.5 18.74 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 122' ' ' VAL . 44.3 mt 32.13 54.63 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.509 HE21 HD13 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -79.08 45.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 30.0 mt -117.02 -35.9 3.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.0 38.68 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -123.14 151.47 42.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.3 mt -123.3 127.55 48.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.5 t -70.66 -52.34 21.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 81.4 146.15 5.08 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.98 2.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 68.5 m -51.24 138.69 20.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.3 p -164.56 155.06 14.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.432 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 t -89.46 111.96 22.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.874 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 t -66.22 103.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 166.76 81.77 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -168.87 114.66 0.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.7 m -88.4 176.34 7.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -144.26 107.29 0.44 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -160.36 174.72 13.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -91.32 174.04 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -131.09 95.23 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -103.98 44.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.7 mt -91.69 -7.67 49.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -118.44 164.48 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.2 mp -123.84 133.33 53.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -141.97 109.82 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -142.91 -174.96 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mt -141.04 148.84 40.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.4 t -55.2 164.35 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.28 -19.17 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 65.3 t -86.13 -59.66 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.9 p -90.58 -17.14 27.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt 59.43 52.36 5.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' ASP . 69.4 mt-10 -133.72 133.49 41.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.8 m-20 -35.67 141.11 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.621 ' CD1' ' CD2' ' A' ' 91' ' ' LEU . 8.4 m-85 -75.29 154.07 37.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -131.95 141.24 40.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.582 0.706 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -40.57 5.21 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -50.31 -37.41 36.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.52 148.9 21.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -88.42 124.87 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.621 ' CD2' ' CD1' ' A' ' 85' ' ' PHE . 3.2 mp -100.66 115.37 30.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.926 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -64.57 104.49 0.93 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.46 HG12 ' HB2' ' A' ' 99' ' ' ALA . 47.5 mt -83.86 99.07 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.79 0.329 . . . . 0.0 111.132 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 33.4 m -64.79 157.8 72.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.732 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 4.29 2.25 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 27.4 p -104.91 21.85 16.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 2.6 mmpt? 62.2 48.93 4.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.538 ' HB3' ' CE1' ' A' ' 100' ' ' PHE . 33.9 m170 -148.62 125.43 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.46 ' HB2' HG12 ' A' ' 93' ' ' ILE . . . -106.8 146.76 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.559 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 44.1 m-85 -147.87 155.23 41.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 102' ' ' ARG . 32.0 m80 -58.08 121.97 11.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' HIS . 8.0 mmt180 -38.39 -34.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -78.55 -59.85 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 60.2 m -44.09 -62.38 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.465 ' HG ' HD11 ' A' ' 109' ' ' LEU . 14.4 tp -40.58 -63.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 72.7 mt -37.16 -53.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -57.44 -52.5 65.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.438 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 76.4 t-105 -57.7 -33.46 68.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.465 HD11 ' HG ' ' A' ' 105' ' ' LEU . 26.3 mt -75.01 -39.56 61.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -49.38 -34.07 15.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.584 HG13 ' N ' ' A' ' 112' ' ' ARG . 12.6 p -103.08 -49.15 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.185 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.591 ' HB3' HG22 ' A' ' 114' ' ' VAL . 73.9 mtt180 -128.54 112.63 14.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.505 ' HD2' HD11 ' A' ' 123' ' ' LEU . 21.8 mtmm -78.22 46.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.591 HG22 ' HB3' ' A' ' 112' ' ' ARG . 34.5 m -132.24 176.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.5 t -93.24 124.82 56.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.438 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.3 Cg_endo -69.77 6.1 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.649 2.233 . . . . 0.0 112.347 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.559 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 17.0 mt -113.15 -69.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.1 p -80.87 -20.93 41.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 48.0 t30 60.92 52.47 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 17.3 ptm -120.93 143.9 37.89 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 109.13 2.23 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.663 2.242 . . . . 0.0 112.409 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.4 p -134.06 112.18 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.505 HD11 ' HD2' ' A' ' 113' ' ' LYS . 3.9 mm? -101.36 130.34 47.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 125' ' ' LEU . 4.2 pt20 -42.02 154.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.507 ' C ' HD12 ' A' ' 125' ' ' LEU . 1.6 pp -35.01 128.35 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 127' ' ' GLN . . . -115.47 -43.84 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 126' ' ' ALA . 12.9 mm100 -36.65 145.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 128' ' ' LEU . 4.1 pp -129.74 161.71 30.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.4 p -68.22 -44.59 75.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 132.13 -175.72 19.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.15 31.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.354 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 133' ' ' SER . 84.7 p -152.61 105.46 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 132' ' ' SER . 2.7 m -34.6 -47.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 96.6 p -138.79 109.65 6.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.3 m -133.65 123.83 25.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.68 56.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.1 p -113.72 110.91 20.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.836 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.6 m -120.99 143.35 49.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.61 133.16 7.68 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -100.17 100.66 11.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.3 134.97 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 71' ' ' GLU . 10.5 mttp -125.7 51.92 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 70' ' ' LYS . 77.3 mt-10 33.61 49.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.9 41.89 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -105.05 82.29 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mt -126.68 42.55 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -118.33 -54.55 2.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.523 ' CD ' ' HB3' ' A' ' 99' ' ' ALA . 16.1 tt0 -129.12 118.98 23.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt -122.24 157.19 32.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.3 t -68.72 166.32 17.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -118.27 -40.51 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.8 t -61.89 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 13.4 p -107.21 -21.78 12.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.9 mt 61.81 53.75 3.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -136.59 136.95 39.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -42.38 147.17 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.819 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.486 ' CD1' HD22 ' A' ' 91' ' ' LEU . 45.3 m-85 -87.73 95.15 9.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 86' ' ' LYS . 4.4 mptp? -76.65 156.86 82.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.37 2.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.335 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -48.29 -38.78 19.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -91.03 133.88 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.94 142.17 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 85' ' ' PHE . 12.7 mt -117.25 115.22 24.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.73 108.1 3.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 70.7 mt -84.11 109.73 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.4 m -68.15 160.53 74.41 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.61 0.719 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 4.19 2.33 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.725 2.284 . . . . 0.0 112.348 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.4 p -107.18 35.69 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 48.43 44.9 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.715 ' CD2' HD13 ' A' ' 117' ' ' LEU . 9.9 m80 -140.55 143.18 35.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HB3' ' CD ' ' A' ' 76' ' ' GLU . . . -112.16 142.08 45.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.067 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.465 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 96.5 m-85 -149.16 149.52 31.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -61.25 134.69 57.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -40.41 -47.5 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 104' ' ' CYS . 17.3 mmmt -71.44 -64.26 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 103' ' ' LYS . 85.3 m -37.19 -44.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.4 tp -67.76 -63.89 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 61.3 mt -43.53 -47.21 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -67.17 -56.76 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.464 ' CZ2' ' HB3' ' A' ' 116' ' ' PRO . 53.4 t-105 -49.49 -36.32 22.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 75.2 mt -58.4 -37.24 74.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -53.37 -60.38 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.2 p -71.69 -49.75 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.936 ' HG2' HG22 ' A' ' 114' ' ' VAL . 3.4 ttm180 -127.12 114.75 18.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.21 46.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.936 HG22 ' HG2' ' A' ' 112' ' ' ARG . 5.4 m -148.96 168.84 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 49.1 t -76.95 125.61 86.69 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.464 ' HB3' ' CZ2' ' A' ' 108' ' ' TRP . 53.5 Cg_endo -69.77 5.95 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.295 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.715 HD13 ' CD2' ' A' ' 98' ' ' HIS . 13.6 mt -112.79 -69.17 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.7 p -83.03 -27.74 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 74.59 38.56 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.3 ttt -103.15 136.86 19.16 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.517 0.675 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 108.2 2.04 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 42.9 t -88.35 106.84 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.78 40.64 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -76.91 90.98 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 31.3 tp -109.66 81.67 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.6 -44.99 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -42.26 122.24 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 12.2 mt -104.84 -44.16 4.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.3 m -147.25 164.74 32.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 88.94 85.24 1.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.503 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -39.16 6.85 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 97.6 p -74.42 161.22 30.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.7 p -117.44 89.79 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.4 p -87.29 155.55 20.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.846 0.355 . . . . 0.0 110.84 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.4 p -139.42 165.58 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 166.12 45.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 p -135.15 171.99 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.1 p -46.69 152.23 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -88.34 89.84 1.62 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -125.66 138.69 53.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.795 0.331 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 p -168.74 138.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.164 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -121.89 151.57 40.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.52 166.62 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 72' ' ' LEU . 1.3 tt 39.92 41.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -104.86 94.44 5.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.2 tp -84.69 58.69 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.3 m80 53.7 48.15 22.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.18 41.22 1.12 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mt -143.97 147.6 34.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 41.9 t -60.56 110.46 1.29 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.593 ' O ' HD12 ' A' ' 82' ' ' LEU . . . -69.39 -22.84 63.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.418 HG11 ' HB3' ' A' ' 104' ' ' CYS . 23.0 t -61.44 -46.3 96.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 27.8 p -115.94 -1.59 12.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 79' ' ' ALA . 7.9 mp 56.63 54.17 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -138.33 165.89 25.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.33 162.26 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 37.6 m-85 -96.38 125.45 40.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -116.73 146.24 37.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.592 0.71 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -39.43 6.67 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.733 2.288 . . . . 0.0 112.338 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -48.6 -37.36 17.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -100.2 116.51 32.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.51 141.95 4.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' A' ' 101' ' ' HIS . 86.8 mt -132.04 132.24 43.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.916 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.3 118.76 5.62 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.454 HG13 ' HB2' ' A' ' 99' ' ' ALA . 4.8 mp -88.62 136.33 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.784 0.326 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 m -101.39 160.17 27.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.21 2.91 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.631 2.221 . . . . 0.0 112.332 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.79 25.76 11.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 98' ' ' HIS . 0.0 OUTLIER 56.38 49.77 14.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 97' ' ' LYS . 35.7 m170 -149.01 122.92 9.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.454 ' HB2' HG13 ' A' ' 93' ' ' ILE . . . -112.09 148.38 34.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 98' ' ' HIS . 21.1 m-85 -147.33 140.16 24.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.673 ' HA ' HD23 ' A' ' 91' ' ' LEU . 44.8 m80 -40.06 125.96 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -39.78 -38.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 19.3 ptmt -74.78 -50.26 17.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 57.7 m -52.79 -53.88 42.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 106' ' ' ILE . 14.7 tp -53.45 -64.95 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 105' ' ' LEU . 57.2 mt -37.68 -52.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -60.8 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.572 ' CE2' ' CB ' ' A' ' 112' ' ' ARG . 63.3 t-105 -47.67 -31.05 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.05 -38.99 79.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -44.57 -50.89 9.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 112' ' ' ARG . 33.8 m -104.9 -52.32 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.621 ' N ' HG23 ' A' ' 111' ' ' VAL . 21.2 mmt180 -90.33 94.86 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.777 ' HE3' HD13 ' A' ' 123' ' ' LEU . 10.7 tttp -81.7 39.87 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.1 m -149.0 175.47 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 4.7 t -82.04 124.36 78.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 8.66 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.687 2.258 . . . . 0.0 112.304 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' ' 98' ' ' HIS . 13.3 mt -118.28 -66.64 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 22.7 p -85.19 -13.65 49.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 45.5 t30 60.03 47.6 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 21.3 mmt -113.57 154.11 45.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.691 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 108.87 2.17 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.43 110.43 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.777 HD13 ' HE3' ' A' ' 113' ' ' LYS . 24.5 tp -133.43 93.64 3.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -118.95 81.63 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.6 tp -152.33 122.83 7.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -122.8 39.67 3.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 42.35 42.5 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 mp -56.54 -55.11 37.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 77.8 p -167.65 155.23 8.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -134.38 -125.24 2.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.8 Cg_endo -69.69 1.41 4.41 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.716 2.278 . . . . 0.0 112.356 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 131' ' ' PRO . 40.7 t -33.99 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 51.4 p -74.93 173.91 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.51 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 t -141.41 150.89 42.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.835 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.3 m -107.99 85.55 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 42.43 -159.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -112.85 165.65 12.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -142.74 133.12 24.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 161.92 118.94 0.49 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -126.9 114.49 17.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 92.0 t -57.08 136.26 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -115.28 155.53 27.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -70.19 83.75 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -150.02 169.75 20.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -126.43 161.62 27.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.637 HD21 ' O ' ' A' ' 76' ' ' GLU . 64.8 tp -162.97 151.51 14.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -105.21 -40.07 5.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.637 ' O ' HD21 ' A' ' 74' ' ' LEU . 50.4 mm-40 -98.86 109.01 21.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.834 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -96.19 150.82 20.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.534 ' HA ' ' CZ ' ' A' ' 85' ' ' PHE . 22.6 t -43.93 164.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.77 -34.86 6.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.7 t -71.26 -62.05 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.5 p -87.33 -23.44 24.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.9 mt 65.35 53.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -135.04 143.94 47.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -50.17 115.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.534 ' CZ ' ' HA ' ' A' ' 78' ' ' CYS . 44.8 m-85 -51.42 164.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -137.68 142.64 37.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.529 0.68 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -37.17 9.64 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -46.23 -39.65 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -81.58 160.76 23.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 91' ' ' LEU . 20.4 mt-10 -87.5 62.13 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' GLU . 34.5 mt -37.51 109.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.78 115.43 4.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.43 136.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 111.117 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 77.0 m -97.27 156.15 36.58 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.592 0.711 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 4.48 2.17 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 20.2 p -111.85 25.41 11.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.3 mttt 59.41 38.4 22.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.448 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 44.7 m170 -134.85 127.85 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.22 150.55 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.68 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 66.6 m-85 -150.7 163.62 38.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 104' ' ' CYS . 19.8 m80 -68.3 132.22 46.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -37.96 -42.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 104' ' ' CYS . 26.6 tptt -78.3 -66.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 103' ' ' LYS . 88.0 m -33.58 -58.36 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -47.49 -66.86 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.756 ' HA ' HD12 ' A' ' 109' ' ' LEU . 72.6 mt -41.57 -55.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -50.49 -47.66 57.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.559 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 71.7 t-105 -62.89 -46.0 89.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.756 HD12 ' HA ' ' A' ' 106' ' ' ILE . 27.3 mt -52.37 -36.94 55.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.78 -61.46 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 112' ' ' ARG . 30.1 m -62.52 -43.71 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.495 ' HG2' HG22 ' A' ' 114' ' ' VAL . 11.4 ttm180 -143.72 124.04 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -79.23 45.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.495 HG22 ' HG2' ' A' ' 112' ' ' ARG . 5.1 m -138.82 168.68 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 28.7 t -82.57 125.85 75.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.627 0.727 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.559 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.1 Cg_endo -69.85 7.27 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.325 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.68 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 16.0 mt -112.9 -66.91 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.0 p -85.16 -15.23 44.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 15.3 m-80 60.34 42.99 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 15.7 ttt -112.08 133.34 21.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 108.63 2.12 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.757 2.305 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 29.2 t -91.69 139.34 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.5 mt -129.84 80.87 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -174.03 120.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 126' ' ' ALA . 10.9 mp -110.95 102.97 11.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 125' ' ' LEU . . . 36.03 42.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -134.7 93.55 3.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.2 mp -80.66 81.91 6.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.5 t -58.64 -53.75 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 139.25 133.88 3.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 1.41 4.42 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.37 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 19.1 t -132.99 139.69 47.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.3 m -96.12 42.09 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.831 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.8 p -55.21 114.91 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.2 t -116.26 107.21 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.59 60.19 0.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.473 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -111.69 43.89 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -63.0 151.56 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.52 43.75 94.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -128.94 91.23 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 89.3 t -129.18 83.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -119.45 118.82 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -113.97 40.8 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.98 157.98 20.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -116.46 91.15 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.0 tp -133.72 -59.87 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -77.37 146.12 36.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -98.09 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.854 HD22 ' H ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -91.19 145.97 24.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 85' ' ' PHE . 19.5 t -44.93 165.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -106.68 -26.44 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.3 t -84.61 -59.37 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 18.0 p -89.02 -24.31 22.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.7 mt 63.34 52.84 2.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 84' ' ' ASP . 14.4 mt-10 -133.21 135.56 45.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 83' ' ' GLU . 32.0 m-20 -38.13 127.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 78' ' ' CYS . 13.6 m-85 -72.21 146.24 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -134.12 144.87 53.25 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.566 0.698 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -37.48 9.09 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -47.82 -39.21 17.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.46 131.17 37.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -58.13 123.98 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 mt -112.44 159.98 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.62 107.25 0.86 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.1 mt -84.95 121.34 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.788 0.327 . . . . 0.0 111.096 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.35 161.51 54.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.61 0.719 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 2.57 3.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.338 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 25.2 p -103.26 26.89 7.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.31 42.42 31.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 23.0 m170 -140.32 128.3 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.32 144.22 31.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 54.3 m-85 -147.76 141.28 25.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 103' ' ' LYS . 44.7 m80 -49.91 123.44 8.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.483 ' O ' HD12 ' A' ' 106' ' ' ILE . 0.7 OUTLIER -37.09 -31.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' HIS . 52.4 mtmt -82.85 -55.05 4.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 67.5 m -47.75 -51.41 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.8 tp -55.15 -59.8 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 102' ' ' ARG . 71.4 mt -48.44 -48.39 14.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -60.12 -55.17 37.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -53.12 -49.46 66.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.9 mt -40.95 -54.77 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -38.77 -43.44 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.402 HG12 ' HG3' ' A' ' 112' ' ' ARG . 73.6 t -77.79 -66.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.402 ' HG3' HG12 ' A' ' 111' ' ' VAL . 79.9 mtt180 -118.6 139.23 51.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -92.27 39.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.3 m -142.67 167.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.411 ' C ' ' H ' ' A' ' 117' ' ' LEU . 50.2 t -74.15 128.45 86.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 11.32 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.349 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.458 HD13 ' CD2' ' A' ' 98' ' ' HIS . 39.2 mt -121.82 -62.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.3 p -93.2 -14.12 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 21.3 m-20 60.59 41.3 15.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -98.2 136.28 21.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 107.96 1.98 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 0.0 112.362 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.9 p -143.54 122.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.51 125.16 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -83.19 122.5 28.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.2 tp -77.39 111.63 13.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.27 -51.49 13.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -53.52 145.81 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.21 152.32 44.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.7 m -132.91 91.22 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.94 122.32 0.32 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 115.26 4.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 89.9 p 41.66 42.89 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.6 t -97.23 104.34 16.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 99.2 p -97.37 120.96 38.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.8 t -117.1 170.51 8.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.811 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.47 -177.3 46.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.8 t -145.57 161.37 39.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.5 t -102.77 112.04 24.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.22 -165.45 19.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -111.04 130.15 55.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.4 m -42.98 163.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.139 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.03 147.78 39.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -124.55 138.77 54.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.9 mp -68.49 137.92 54.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -110.18 127.0 54.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.8 mt -92.85 -47.98 6.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -73.42 -178.84 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -116.58 117.19 29.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 84' ' ' ASP . 12.3 mt -131.88 134.47 45.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 17.2 t -43.89 165.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.23 -35.33 4.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 97.6 t -68.29 -45.68 82.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 19.0 p -107.29 -18.37 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.1 mt 55.57 52.3 11.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' ASP . 15.8 mt-10 -131.32 127.83 38.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.507 ' HA ' HD23 ' A' ' 77' ' ' LEU . 3.2 m-20 -36.61 123.1 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.433 ' CD1' HD22 ' A' ' 91' ' ' LEU . 41.6 m-85 -53.66 137.91 36.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -123.57 144.96 45.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -30.46 22.22 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -52.12 -40.02 60.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.48 159.11 15.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 102' ' ' ARG . 10.7 tp10 -85.41 94.8 9.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 85' ' ' PHE . 12.8 mt -69.1 103.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.95 113.76 3.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 21.3 mm -85.07 135.22 25.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.59 162.27 28.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.8 2.54 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.396 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.8 p -108.47 27.44 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt 58.58 29.78 18.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.59 ' CE1' ' HB3' ' A' ' 117' ' ' LEU . 12.2 m170 -114.07 159.94 19.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.1 136.26 54.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 93.5 m-85 -148.88 150.02 32.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.429 ' HD2' HD23 ' A' ' 91' ' ' LEU . 37.9 m80 -72.11 134.93 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 101' ' ' HIS . 10.5 mtp180 -36.1 -55.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' CYS . 6.0 tptp -64.25 -63.74 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' LYS . 58.8 m -36.38 -47.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 106' ' ' ILE . 13.4 tp -68.41 -69.48 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 105' ' ' LEU . 91.4 mt -36.71 -49.52 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -65.12 -58.21 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -46.84 -55.85 7.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.7 mt -39.7 -46.58 1.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -48.32 -56.12 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.36 -58.52 6.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.511 ' HB3' HG22 ' A' ' 114' ' ' VAL . 51.3 mtt180 -126.64 122.02 33.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -79.35 46.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' A' ' 112' ' ' ARG . 27.2 m -143.65 174.18 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 3.7 t -87.46 124.77 67.34 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.731 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 9.69 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.59 ' HB3' ' CE1' ' A' ' 98' ' ' HIS . 12.1 mt -124.0 -51.79 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 28.6 p -111.72 15.09 21.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 11.2 t-20 38.61 41.48 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.439 ' CG ' ' HD2' ' A' ' 121' ' ' PRO . 14.6 ttt -91.98 139.73 24.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 120' ' ' MET . 53.7 Cg_endo -69.74 108.23 2.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.6 t -112.66 119.73 61.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.3 mp -99.32 127.99 45.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -59.85 114.01 2.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.5 tp -118.31 46.42 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.45 -49.02 6.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.061 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -148.61 133.1 17.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.9 mp -140.48 161.08 38.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.3 m 47.5 45.81 17.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -146.35 -176.64 20.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.526 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 106.33 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.3 m -81.35 165.11 21.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.8 p -103.91 110.23 22.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.493 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.1 t -99.23 164.52 12.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.0 p -67.56 177.66 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.73 91.8 0.13 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.1 t -108.68 92.97 4.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.6 m -40.4 119.41 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.92 161.16 25.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -128.03 156.26 43.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.807 0.337 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -37.35 121.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.96 150.48 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -158.02 111.92 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -125.04 124.69 42.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -116.93 42.92 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.0 mt -121.96 120.29 34.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.37 43.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -124.18 87.19 2.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 84' ' ' ASP . 15.2 mt -120.55 132.49 55.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 82' ' ' LEU . 52.4 t -58.45 112.19 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.53 -33.29 75.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 104' ' ' CYS . 39.4 t -54.17 -52.25 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 83' ' ' GLU . 28.9 p -116.35 19.46 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 78' ' ' CYS . 7.2 mt 36.91 55.02 1.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HB2' ' SG ' ' A' ' 81' ' ' CYS . 21.6 mt-10 -140.74 138.77 34.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -51.85 171.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 62.3 m-85 -102.74 134.02 46.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -125.17 153.27 71.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.559 0.695 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -26.65 27.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -56.88 -31.37 64.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 90' ' ' GLU . 2.4 m-20 -116.56 110.54 18.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 89' ' ' ASP . 3.2 tp10 -35.91 141.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.47 121.09 38.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.93 109.82 3.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.512 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.479 HG12 ' HB2' ' A' ' 99' ' ' ALA . 44.1 mt -88.25 120.28 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -80.03 162.4 62.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 3.4 2.8 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.28 . . . . 0.0 112.316 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 15.0 p -104.61 33.07 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt 52.98 38.93 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.741 ' CD2' HD13 ' A' ' 117' ' ' LEU . 9.0 m170 -132.82 158.84 41.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.479 ' HB2' HG12 ' A' ' 93' ' ' ILE . . . -138.88 143.06 38.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.462 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 47.8 m-85 -150.05 163.19 38.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -67.27 133.59 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -39.74 -46.37 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 104' ' ' CYS . 30.9 mmtt -71.72 -67.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.458 ' C ' ' O ' ' A' ' 103' ' ' LYS . 96.1 m -33.91 -48.34 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.96 -65.31 0.7 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.8 mt -39.99 -58.9 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -54.28 -51.44 64.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.473 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 72.0 t-105 -51.72 -39.29 58.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.15 -39.81 90.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -43.96 -47.85 8.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.63 HG23 ' N ' ' A' ' 112' ' ' ARG . 34.9 m -94.84 -52.5 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.63 ' N ' HG23 ' A' ' 111' ' ' VAL . 20.2 mtt180 -115.29 104.08 11.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -76.85 45.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.473 ' O ' ' NE1' ' A' ' 108' ' ' TRP . 33.2 m -141.05 175.92 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.0 t -87.05 126.37 63.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.607 0.718 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 7.35 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.694 2.263 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.741 HD13 ' CD2' ' A' ' 98' ' ' HIS . 16.8 mt -117.46 -69.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.8 p -81.22 -22.04 39.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 62.3 47.91 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 74.8 mtp -117.09 146.68 38.6 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.6 0.715 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 109.4 2.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.746 2.297 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 122' ' ' VAL . 5.5 p -130.58 83.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -101.1 120.93 40.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.426 ' CD ' ' O ' ' A' ' 124' ' ' GLN . 4.4 pp0? -129.92 40.51 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.37 123.83 24.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -133.82 41.79 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -108.38 140.16 42.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.3 pp -169.47 156.83 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.0 p -89.06 -52.18 5.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 160.35 170.89 25.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 85.22 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.654 2.236 . . . . 0.0 112.359 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.5 m -102.28 114.37 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 59.7 p -126.01 142.36 51.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.457 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.8 p -140.59 137.42 33.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.836 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 p -165.65 166.3 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.47 -150.19 20.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.534 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 86.5 p -80.73 125.13 29.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.5 p -75.34 -25.08 57.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.89 107.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -69.19 114.58 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -112.82 134.99 53.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -112.28 92.18 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -145.29 163.92 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mp -125.98 170.42 11.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 65.21 47.77 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.419 ' C ' HD21 ' A' ' 77' ' ' LEU . 2.8 mp -106.7 86.01 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.404 ' O ' HD13 ' A' ' 77' ' ' LEU . 14.7 m-70 -135.21 147.53 49.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' O ' ' CD2' ' A' ' 85' ' ' PHE . 1.1 mp0 62.88 45.99 5.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.864 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -98.45 158.06 15.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' LEU . 45.5 t -59.38 111.66 1.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.66 -13.72 35.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.52 -60.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.4 p -101.35 14.8 30.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' CYS . 8.3 mt 37.12 54.5 1.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -140.69 140.88 35.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -46.97 169.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 76' ' ' GLU . 46.7 m-85 -102.51 106.8 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -87.7 149.2 45.61 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -30.66 21.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.237 . . . . 0.0 112.345 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -54.95 -36.76 65.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -98.83 139.39 34.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.619 ' O ' HD23 ' A' ' 91' ' ' LEU . 4.9 mp0 -53.73 -177.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 90' ' ' GLU . 41.6 mt -149.92 115.87 5.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.77 108.19 3.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 49.6 mt -87.83 108.54 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.7 m -68.29 160.22 76.6 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.59 0.71 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 2.09 3.84 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 5.0 p -103.48 25.64 9.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 25.62 15.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 5.4 m170 -116.77 154.72 30.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -127.47 140.69 51.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 64.5 m-85 -150.8 159.88 44.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -63.34 126.18 26.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.488 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.2 mmp_? -49.56 -20.55 0.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 34.3 pttt -91.45 -40.24 11.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 85.8 m -70.45 -49.29 50.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.8 tp -53.39 -53.91 44.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 102' ' ' ARG . 86.9 mt -48.36 -47.31 14.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.144 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -65.86 -56.2 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.45 ' CE2' ' HB3' ' A' ' 116' ' ' PRO . 57.0 t-105 -54.83 -29.77 55.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 109' ' ' LEU . 14.5 mt -65.92 -39.06 90.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -59.96 -59.62 5.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 112' ' ' ARG . 19.5 m -59.23 -41.81 85.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.141 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.856 ' HG2' HG22 ' A' ' 114' ' ' VAL . 10.0 ttm180 -140.28 126.84 20.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.411 ' HE2' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -84.33 47.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.856 HG22 ' HG2' ' A' ' 112' ' ' ARG . 16.1 m -148.63 171.2 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 10.9 t -78.57 133.79 62.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.45 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.77 6.68 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 37.9 mt -124.53 -76.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 119' ' ' ASN . 26.6 p -70.69 -3.19 17.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.451 ' CG ' ' O ' ' A' ' 118' ' ' CYS . 4.4 p30 46.57 48.46 14.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.6 tpp -123.28 137.03 27.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 107.91 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.258 . . . . 0.0 112.338 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 122' ' ' VAL . 3.3 m -77.2 84.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.8 mt -85.37 90.26 7.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -102.73 142.15 34.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tt -74.94 84.84 2.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -101.02 50.63 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -100.38 124.15 45.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.2 mt -146.61 120.5 9.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 48.2 t -92.73 112.07 23.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -71.99 147.9 42.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -48.22 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.661 2.241 . . . . 0.0 112.388 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 66.6 m -95.62 96.47 9.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 6.2 m -151.84 107.75 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.468 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.8 t -120.24 85.56 2.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.379 . . . . 0.0 110.882 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 m -104.7 101.45 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.56 -151.52 22.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.1 p -148.66 165.76 30.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -105.64 151.11 24.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -128.66 102.57 0.58 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -82.22 155.79 24.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.329 . . . . 0.0 110.864 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 69' ' ' VAL . 35.0 m -35.78 120.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.591 ' HE2' HD12 ' A' ' 72' ' ' LEU . 25.5 pttm -174.52 160.5 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -129.8 99.78 5.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.591 HD12 ' HE2' ' A' ' 70' ' ' LYS . 30.3 mt -116.52 39.48 3.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -80.86 93.26 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 tt -97.5 95.06 7.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.3 m80 -154.99 164.6 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 61.63 39.63 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.9 mt -125.41 144.85 50.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.0 t -63.01 166.3 5.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.454 ' HA ' HD23 ' A' ' 82' ' ' LEU . . . -116.2 -36.02 4.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.9 t -66.87 -52.82 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.2 p -98.72 -23.97 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 79' ' ' ALA . 16.3 mt 62.21 52.18 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASP . 15.0 mm-40 -134.07 131.71 39.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' GLU . 0.9 OUTLIER -35.65 145.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -86.09 149.31 25.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -134.58 147.35 62.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.709 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -39.15 6.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.313 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -47.26 -38.67 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.32 124.89 44.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -44.07 156.32 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 96.1 mt -136.32 118.08 15.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.17 111.07 3.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 4.7 mp -87.59 121.16 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.13 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.43 157.35 75.2 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.666 0.746 . . . . 0.0 110.852 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 3.56 2.7 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.1 p -110.37 32.28 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.9 mmtp 52.61 47.19 25.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.683 ' CD2' HD13 ' A' ' 117' ' ' LEU . 22.1 m170 -145.81 120.58 9.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.53 150.4 22.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.067 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.597 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 97.3 m-85 -150.32 165.47 32.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' ARG . 34.0 m80 -72.2 126.59 30.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.461 ' O ' HD12 ' A' ' 106' ' ' ILE . 2.5 mmp_? -37.14 -38.64 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -77.55 -58.66 3.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 65.6 m -42.9 -57.41 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.4 tp -48.69 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.572 ' HA ' HD12 ' A' ' 109' ' ' LEU . 58.5 mt -39.89 -55.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -52.31 -48.16 65.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.48 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 67.3 t-105 -65.91 -31.13 71.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 106' ' ' ILE . 43.5 mt -68.54 -38.81 81.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -50.85 -50.15 57.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.536 HG23 ' N ' ' A' ' 112' ' ' ARG . 28.0 m -75.62 -47.91 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.073 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.536 ' N ' HG23 ' A' ' 111' ' ' VAL . 21.7 ttt85 -148.37 130.75 15.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.499 ' HA ' HD23 ' A' ' 109' ' ' LEU . 3.2 mptp? -84.29 68.12 10.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 3.3 m -147.12 165.58 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 45.8 t -81.29 127.19 74.63 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.68 0.753 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.597 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.4 Cg_endo -69.84 7.69 0.96 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' A' ' 98' ' ' HIS . 15.0 mt -115.25 -66.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 19.8 p -85.98 -12.76 49.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 26.8 t30 64.66 32.18 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.0 tmm? -105.83 134.05 19.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 111.95 2.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' A' ' 123' ' ' LEU . 4.5 m -89.46 15.28 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.463 ' C ' ' O ' ' A' ' 122' ' ' VAL . 7.4 mp 32.93 52.54 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -67.97 -4.62 13.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.454 HD12 ' HE3' ' A' ' 113' ' ' LYS . 2.2 tt -102.81 85.08 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.96 -42.75 26.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -151.54 154.67 36.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.36 110.77 1.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.6 p -107.1 -46.79 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.64 147.13 7.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 101.47 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.64 2.227 . . . . 0.0 112.345 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 43.6 t -61.36 133.01 55.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 65.0 p -154.07 152.7 30.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.1 p -159.95 116.01 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.875 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 95.8 p -52.25 151.03 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.79 179.43 25.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.6 m -135.46 105.25 6.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 t -119.61 164.95 15.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -75.34 -169.37 25.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -79.53 115.49 19.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.2 t -97.63 89.55 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.2 tttp -130.82 41.96 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.636 ' HG3' HD21 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -145.29 127.92 16.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.843 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.4 mp -89.77 -8.38 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -142.38 124.65 15.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.636 HD21 ' HG3' ' A' ' 71' ' ' GLU . 36.2 mt -128.19 39.32 3.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -73.93 -56.34 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -152.4 149.62 28.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -119.69 148.87 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.556 ' N ' ' CE2' ' A' ' 85' ' ' PHE . 13.4 t -53.23 166.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.06 -32.32 5.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.4 t -70.77 -53.84 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.6 -23.72 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.6 mt 66.04 46.64 2.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -129.14 137.2 51.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.45 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -41.81 147.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CE2' ' N ' ' A' ' 78' ' ' CYS . 33.3 m-85 -94.31 134.86 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.5 mmtm -119.99 152.52 54.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.703 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -33.52 16.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.734 2.289 . . . . 0.0 112.355 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -49.35 -40.15 34.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -95.17 133.24 39.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.412 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 8.4 tt0 -60.15 133.62 56.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.56 125.83 51.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.91 120.35 6.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.47 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.73 139.28 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.764 0.316 . . . . 0.0 111.161 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.19 161.68 22.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.574 0.702 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.68 4.26 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 p -111.21 29.93 7.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.2 mmtt 52.45 46.15 27.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 17.7 m170 -140.02 136.1 33.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.52 144.38 42.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.69 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 94.1 m-85 -147.07 155.33 42.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' ARG . 35.9 m80 -57.6 125.97 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' HIS . 11.8 mmt180 -36.91 -39.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -77.07 -60.64 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.5 m -39.17 -53.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.1 tp -54.86 -56.17 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 54.6 mt -48.27 -48.21 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -63.26 -57.32 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 112' ' ' ARG . 76.3 t-105 -47.42 -48.74 26.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.3 mt -50.16 -32.15 15.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -54.69 -62.58 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.605 HG13 ' N ' ' A' ' 112' ' ' ARG . 14.0 p -80.63 -50.38 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.605 ' N ' HG13 ' A' ' 111' ' ' VAL . 7.5 mmm180 -114.53 108.64 17.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -81.02 43.53 0.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.489 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 28.7 m -147.21 175.94 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 42.5 t -73.3 125.25 90.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.658 0.742 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.401 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.5 Cg_endo -69.75 12.78 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.69 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 15.5 mt -125.45 -57.4 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.453 ' O ' ' ND2' ' A' ' 119' ' ' ASN . 30.4 p -105.18 5.51 32.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 118' ' ' CYS . 1.0 OUTLIER 46.64 27.9 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.416 ' CB ' ' SG ' ' A' ' 118' ' ' CYS . 3.7 tpt -73.71 135.45 77.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.549 0.69 . . . . 0.0 110.939 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.44 2.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.8 t -97.78 78.83 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -110.78 107.75 17.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -91.92 41.58 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 65.5 mt -132.04 85.38 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -129.71 -45.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -125.58 40.7 3.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 128' ' ' LEU . 6.1 mp -123.89 169.49 11.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.3 m -150.94 109.73 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.37 -157.41 24.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 3.32 2.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.3 m 69.14 42.6 1.21 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.2 p -69.58 129.97 41.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.2 t -164.37 140.04 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -42.93 -58.77 2.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.56 100.87 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.2 m -133.07 102.21 5.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.88 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.3 t -132.44 167.26 20.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.71 84.79 0.96 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -163.55 149.25 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.1 t -120.3 94.62 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -122.98 163.1 21.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -134.8 39.01 3.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.83 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 72' ' ' LEU . 2.9 pp -174.83 122.34 0.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -113.93 43.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 tt -109.95 117.56 34.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -60.0 103.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -107.92 48.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 mp -118.63 156.85 28.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.1 t -61.26 163.73 6.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.7 -37.17 5.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -66.18 -60.41 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.5 p -91.9 -26.67 18.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 mt 64.71 51.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 84' ' ' ASP . 65.5 mm-40 -126.93 126.07 42.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -36.76 112.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -46.45 139.88 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -127.55 145.62 55.37 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -41.0 4.67 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -47.3 -37.31 10.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -97.44 137.84 35.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.75 139.27 58.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.1 mt -122.96 131.07 53.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -103.84 113.57 4.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.613 HD13 ' HA ' ' A' ' 99' ' ' ALA . 44.2 mm -85.41 110.79 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -66.65 161.87 56.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 3.95 2.47 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.747 2.298 . . . . 0.0 112.333 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 p -106.47 30.56 5.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt 50.9 43.53 28.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.564 ' CD2' HD13 ' A' ' 117' ' ' LEU . 4.5 m170 -129.34 147.74 51.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.613 ' HA ' HD13 ' A' ' 93' ' ' ILE . . . -106.9 138.55 42.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.733 ' CZ ' HD12 ' A' ' 117' ' ' LEU . 82.2 m-85 -150.31 156.94 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -77.71 134.02 38.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.529 ' O ' HD12 ' A' ' 106' ' ' ILE . 1.4 mmp_? -42.97 -33.63 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -83.77 -55.74 4.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 79.5 m -46.02 -54.88 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.455 HD23 ' NH2' ' A' ' 102' ' ' ARG . 19.5 tp -52.28 -54.13 35.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 102' ' ' ARG . 70.3 mt -54.17 -51.27 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 tptp -57.52 -44.94 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.447 ' CE2' ' HB3' ' A' ' 116' ' ' PRO . 76.0 t-105 -62.57 -57.37 11.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 106' ' ' ILE . 44.3 mt -37.05 -48.57 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -40.76 -59.47 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.51 -62.07 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.07 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.621 ' HB3' HG22 ' A' ' 114' ' ' VAL . 36.7 mtt85 -129.16 139.3 51.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.96 36.54 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.621 HG22 ' HB3' ' A' ' 112' ' ' ARG . 35.0 m -131.67 162.15 39.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 39.4 t -74.58 127.62 87.04 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.447 ' HB3' ' CE2' ' A' ' 108' ' ' TRP . 53.4 Cg_endo -69.8 6.76 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.327 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.733 HD12 ' CZ ' ' A' ' 100' ' ' PHE . 29.0 mt -114.32 -69.57 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 9.3 p -81.57 -12.07 58.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 36.6 t30 60.44 44.58 11.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 16.3 ttt -125.73 136.72 28.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.712 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.432 ' HB2' ' CD2' ' A' ' 123' ' ' LEU . 54.2 Cg_endo -69.71 108.1 1.99 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.412 HG22 ' H ' ' A' ' 122' ' ' VAL . 3.2 m -68.72 90.48 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.096 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 121' ' ' PRO . 4.2 mm? -92.01 83.19 5.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -149.99 113.68 5.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 16.0 mt -71.08 87.92 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -108.99 -50.04 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -114.33 105.84 13.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.55 HD23 ' H ' ' A' ' 128' ' ' LEU . 2.0 pt? -119.95 160.25 23.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -76.52 89.65 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 131' ' ' PRO . . . 151.66 100.68 0.2 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.437 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 130' ' ' GLY . 54.0 Cg_endo -69.76 94.71 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 t -56.36 157.1 5.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 45.3 m -110.3 153.23 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.0 m -99.99 144.3 29.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' GLY . 9.2 t -87.6 42.17 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' SER . . . 38.0 55.27 1.89 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.476 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.2 m -101.94 42.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.896 0.379 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.4 p -117.2 42.23 2.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.78 -130.07 10.15 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' VAL . 38.1 mmtt -126.6 41.78 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' LYS . 32.8 m 37.16 40.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -102.56 41.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -156.39 106.99 2.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.9 tp -120.51 137.09 54.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -171.48 155.59 4.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.63 126.65 30.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -84.86 81.1 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -89.88 90.62 8.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 mt -134.38 140.65 46.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 53.6 t -50.9 120.9 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.49 19.29 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.092 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.3 -42.35 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 27.9 p -119.22 1.64 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 22.3 mt 53.76 55.04 8.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -141.55 140.22 33.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -54.43 157.16 2.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 28.1 m-85 -93.62 147.34 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -141.19 145.83 40.35 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.641 0.734 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -36.75 10.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.28 . . . . 0.0 112.328 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -48.33 -38.09 18.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.76 175.38 6.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.404 ' C ' ' HG ' ' A' ' 91' ' ' LEU . 19.2 pt-20 -83.92 157.09 22.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 85' ' ' PHE . 22.7 mt -153.23 136.5 15.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -110.27 106.27 2.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 77.2 mt -84.22 118.2 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.5 m -81.67 162.63 57.31 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.6 0.715 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 5.06 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 21.7 p -107.21 32.01 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.0 mmtm 52.62 41.71 31.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 10.3 m170 -133.64 149.73 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.19 138.7 53.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.561 ' HZ ' HD12 ' A' ' 117' ' ' LEU . 68.6 m-85 -149.97 141.04 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -49.48 121.92 5.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -38.49 -40.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -71.67 -45.64 61.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 54.0 m -59.71 -56.07 26.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.53 HD13 ' HB2' ' A' ' 100' ' ' PHE . 12.3 tp -46.73 -54.93 8.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.634 ' HA ' HD12 ' A' ' 109' ' ' LEU . 68.6 mt -49.87 -60.6 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.44 -42.81 61.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.422 ' NE1' ' O ' ' A' ' 114' ' ' VAL . 71.9 t-105 -65.08 -38.49 90.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.634 HD12 ' HA ' ' A' ' 106' ' ' ILE . 13.5 mt -64.54 -31.42 72.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.04 -60.32 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.1 p -76.32 -48.68 26.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.543 ' N ' HG13 ' A' ' 111' ' ' VAL . 20.0 mtm180 -127.94 112.85 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 113' ' ' LYS . 3.7 mppt? -80.98 42.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.465 HG22 ' HB3' ' A' ' 112' ' ' ARG . 34.9 m -132.26 175.98 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 5.7 t -87.3 128.29 55.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.614 0.721 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 9.83 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.561 HD12 ' HZ ' ' A' ' 100' ' ' PHE . 18.9 mt -127.98 -57.87 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 119' ' ' ASN . 31.6 p -104.27 16.98 25.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.474 ' C ' ' O ' ' A' ' 118' ' ' CYS . 2.1 p30 32.03 52.78 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 57.0 mtp -104.41 144.03 27.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 108.03 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.338 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 59.7 t -111.21 143.17 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 74.02 54.98 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -79.43 45.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.8 mp -126.5 74.78 1.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.5 60.71 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -141.66 119.4 11.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.2 mt -144.45 162.87 35.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.9 m -73.79 74.9 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 171.93 96.1 0.1 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.535 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 2.29 3.66 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.4 m -103.86 145.84 29.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.8 m -68.84 150.46 47.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -109.79 152.79 25.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.842 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.5 m -93.0 169.03 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.62 -164.04 13.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -60.5 146.27 45.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.787 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.0 m -58.5 90.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.82 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -114.2 -140.09 7.32 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -111.56 83.54 1.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 69' ' ' VAL . 2.7 p -130.29 112.46 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -120.83 41.7 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' O ' ' CD ' ' A' ' 71' ' ' GLU . 2.8 pp20? -92.23 121.66 33.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 pp -166.15 -177.69 4.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -115.89 154.68 29.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 mt -106.51 116.16 31.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -174.65 167.5 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.63 83.56 7.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.2 mt -151.46 148.63 28.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 50.4 t -58.51 125.34 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.33 19.69 7.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 104' ' ' CYS . 58.5 t -110.88 -38.45 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.7 p -123.55 9.06 8.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt 48.24 55.02 9.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -142.17 168.08 20.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.75 148.26 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -75.83 157.59 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -144.49 152.44 53.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -34.99 13.52 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.305 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -49.29 -36.45 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -105.04 151.13 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -72.42 146.71 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mt -120.0 145.35 46.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -122.24 108.98 1.35 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.1 mt -85.89 116.98 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.51 162.2 69.47 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.622 0.725 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.37 2.82 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 26.8 p -104.95 32.46 4.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.76 46.08 24.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.435 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 14.0 m170 -144.13 141.79 30.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.31 142.97 45.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 98.8 m-85 -146.81 155.32 42.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 103' ' ' LYS . 29.5 m80 -58.2 122.88 14.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.564 ' O ' HD12 ' A' ' 106' ' ' ILE . 6.8 mmt85 -37.24 -31.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' HIS . 51.3 tttt -84.4 -60.47 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.481 ' HB3' HG11 ' A' ' 80' ' ' VAL . 88.4 m -43.41 -47.42 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.71 -54.49 45.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 102' ' ' ARG . 61.4 mt -52.61 -49.89 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -58.79 6.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.445 ' O ' ' C ' ' A' ' 109' ' ' LEU . 60.1 t-105 -47.94 -54.74 11.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 106' ' ' ILE . 35.5 mt -34.38 -50.23 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -46.73 -65.14 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.54 -47.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -134.75 118.12 16.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.34 37.52 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.595 HG12 ' HA ' ' A' ' 121' ' ' PRO . 34.4 m -140.13 170.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.68 127.78 79.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.641 0.734 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 7.73 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.7 mt -117.07 -67.78 0.97 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 23.8 p -84.77 -25.35 28.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.87 38.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.06 136.62 22.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.554 0.692 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.595 ' HA ' HG12 ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.73 108.25 2.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.353 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.22 88.17 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 tt -82.92 107.53 15.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -98.1 131.48 44.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' ALA . 26.8 tp -173.67 111.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 125' ' ' LEU . . . 37.34 39.73 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.07 -28.76 63.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -105.56 82.08 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.3 m -45.52 165.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 119.18 -155.68 15.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 160.56 49.24 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.641 2.227 . . . . 0.0 112.351 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.3 m -110.92 123.59 50.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.7 t -74.62 143.52 44.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.823 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.499 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.1 m -130.74 159.83 36.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 79.3 p -79.24 111.62 15.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.57 99.84 2.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.5 p -140.38 112.85 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.889 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.8 p -58.45 176.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.17 116.65 0.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.62 134.67 3.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.7 p -125.25 140.82 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -59.64 93.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -83.98 88.25 7.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.7 tp -113.18 -9.48 13.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -80.37 85.22 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.9 mt -110.27 41.93 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -103.06 -44.66 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.625 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.29 124.01 17.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 76' ' ' GLU . 12.3 mt -143.36 151.32 40.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.2 t -67.48 164.65 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.69 -30.01 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 85.1 t -75.04 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 17.6 p -87.1 -25.67 24.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 mt 65.0 49.12 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -130.25 136.05 48.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -41.07 122.72 1.84 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -51.62 163.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -144.26 144.84 27.16 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.23 9.45 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -46.63 -39.49 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.24 143.65 27.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -74.29 62.7 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 90' ' ' GLU . 68.3 mt -34.0 101.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -78.16 125.06 6.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.45 131.01 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.26 160.72 39.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 3.21 2.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.262 . . . . 0.0 112.317 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 22.8 p -112.2 35.93 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt 48.26 42.87 18.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.655 ' CD2' HD13 ' A' ' 117' ' ' LEU . 32.7 m170 -136.96 123.51 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.48 150.0 23.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.523 ' CE1' ' HG2' ' A' ' 116' ' ' PRO . 81.6 m-85 -150.79 161.29 42.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' ARG . 23.0 m80 -70.1 131.38 44.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' HIS . 12.7 mmm180 -37.18 -40.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -78.9 -64.49 1.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 84.8 m -37.36 -48.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.5 tp -57.49 -63.63 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 53.8 mt -43.1 -56.31 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.99 -53.04 29.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.545 ' CD1' ' O ' ' A' ' 114' ' ' VAL . 75.4 t-105 -57.4 -46.21 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.53 HD13 HE22 ' A' ' 124' ' ' GLN . 93.9 mt -54.69 -39.11 67.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -55.57 -64.31 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.601 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.4 p -64.82 -53.51 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.601 ' N ' HG13 ' A' ' 111' ' ' VAL . 23.2 mtm180 -127.05 129.89 48.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -88.73 43.83 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.545 ' O ' ' CD1' ' A' ' 108' ' ' TRP . 33.8 m -135.11 173.98 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 30.1 t -89.44 129.66 46.49 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.624 0.725 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.523 ' HG2' ' CE1' ' A' ' 100' ' ' PHE . 53.6 Cg_endo -69.78 6.59 1.26 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.655 HD13 ' CD2' ' A' ' 98' ' ' HIS . 15.9 mt -114.77 -72.22 0.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 8.3 p -78.07 -20.37 52.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 12.9 m-20 60.74 47.76 7.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.3 mmt -113.15 150.93 43.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.546 0.688 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 109.61 2.35 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 80.8 t -118.93 82.44 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.4 tt -85.32 118.48 24.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.53 HE22 HD13 ' A' ' 109' ' ' LEU . 14.2 pt20 -104.88 99.4 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.99 -54.63 12.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.44 67.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.65 129.13 40.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.4 pp -152.12 172.3 16.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.7 m -48.18 -57.28 6.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 121.41 -172.21 15.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.478 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.9 Cg_endo -69.75 3.52 2.72 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.707 2.271 . . . . 0.0 112.332 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 131' ' ' PRO . 58.6 m -31.48 -60.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.861 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 20.3 t -134.72 121.58 20.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.1 m 60.31 44.24 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.0 p -51.16 -46.48 62.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.22 107.68 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 m -77.08 151.21 35.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -66.89 -62.02 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 139.54 143.91 4.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.08 137.43 53.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.752 0.31 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.57 134.06 60.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -106.71 133.04 51.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.48 ' N ' ' OE2' ' A' ' 71' ' ' GLU . 0.3 OUTLIER -156.31 130.5 8.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.7 mp -94.44 84.5 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -136.29 144.06 44.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.9 tp -86.2 138.67 31.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -151.74 170.44 19.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.64 96.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 mt -102.9 145.46 29.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 32.3 t -47.69 164.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.864 ' HB2' HD21 ' A' ' 117' ' ' LEU . . . -115.58 -34.73 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.8 t -66.53 -46.41 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 16.1 p -110.11 -26.08 9.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mt 66.43 54.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -135.16 126.08 27.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -40.54 127.93 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.766 ' HD2' HD22 ' A' ' 91' ' ' LEU . 93.8 m-85 -60.31 146.65 43.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -135.72 152.45 76.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.593 0.711 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -33.54 16.42 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.728 2.285 . . . . 0.0 112.328 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -52.59 -32.95 43.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -114.42 130.44 56.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.507 ' O ' HD23 ' A' ' 91' ' ' LEU . 5.8 mm-40 -48.14 160.93 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.766 HD22 ' HD2' ' A' ' 85' ' ' PHE . 42.3 mt -136.69 110.83 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -88.33 106.05 3.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.502 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 61.4 mt -88.71 122.32 39.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.867 0.365 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 m -78.24 161.55 69.98 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 3.5 2.75 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.359 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.3 p -107.16 36.35 2.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.9 mmmt 51.25 35.26 13.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 100' ' ' PHE . 6.1 m170 -123.83 148.53 46.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.18 144.43 49.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 98' ' ' HIS . 56.7 m-85 -150.63 162.49 40.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -76.54 136.34 39.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 20.8 mtt180 -45.79 -32.93 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 104' ' ' CYS . 13.7 ptpt -84.08 -36.23 23.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 30.7 m -65.98 -54.18 29.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 tp -53.56 -66.89 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.58 ' HA ' HD12 ' A' ' 109' ' ' LEU . 98.0 mt -42.39 -55.93 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -57.52 -39.57 76.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.471 ' CD1' ' HD3' ' A' ' 116' ' ' PRO . 77.0 t-105 -65.45 -38.85 91.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 106' ' ' ILE . 32.3 mt -60.63 -28.01 68.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -62.11 -62.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 112' ' ' ARG . 7.8 p -70.21 -45.57 75.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.499 ' N ' HG13 ' A' ' 111' ' ' VAL . 58.8 mtm-85 -136.28 119.85 17.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.23 35.43 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 112' ' ' ARG . 27.5 m -129.98 173.85 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 119' ' ' ASN . 3.6 t -82.06 125.73 76.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.624 0.726 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.471 ' HD3' ' CD1' ' A' ' 108' ' ' TRP . 53.9 Cg_endo -69.71 9.04 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.649 2.233 . . . . 0.0 112.391 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.864 HD21 ' HB2' ' A' ' 79' ' ' ALA . 92.6 mt -125.8 -52.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.466 ' O ' ' C ' ' A' ' 119' ' ' ASN . 30.8 p -111.74 19.27 18.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 118' ' ' CYS . 2.0 p30 33.22 52.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 60.8 mmm -104.51 144.41 28.66 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 108.09 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 60.9 t -105.4 88.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.8 mt -109.87 89.57 3.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -134.13 31.84 3.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -76.75 0.4 20.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.17 -48.41 81.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.06 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -80.93 144.74 31.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.75 -48.0 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 31.8 p -118.57 174.22 6.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.64 111.99 3.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 114.43 3.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.378 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.7 p -94.33 79.12 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.8 m -157.78 122.04 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_