data_2rsi_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 2rsi _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 50.2 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 53.4 Cg_endo -69.83 -32.06 19.01 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.296 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.486 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 46.3 m-85 -74.89 117.68 17.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -109.51 152.82 24.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 15' ' ' CYS . 44.1 t -90.67 119.65 68.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 1.54 4.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.304 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -109.34 -33.25 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 1.8 p -144.87 -175.0 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -87.51 35.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 48.3 t80 -85.88 157.4 20.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -154.33 157.35 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -158.07 166.18 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -101.09 23.17 11.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 20' ' ' ALA . 66.2 mt -152.93 134.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HD2' ' CZ ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -59.29 -53.63 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.67 -49.66 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.408 ' O ' HG12 ' A' ' 27' ' ' VAL . 20.5 m-20 -52.85 -49.89 64.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.0 tp -52.42 -35.88 53.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -67.83 -54.71 16.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -60.4 -34.8 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 59.9 t60 -65.58 -37.52 86.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.31 -29.4 69.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -60.15 -34.8 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -63.8 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 49.1 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mttp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 49' ' ' LYS . 66.0 m-85 -91.36 106.19 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.06 149.34 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.1 t -76.29 137.11 39.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.5 22.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -130.97 -35.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.6 p -141.97 -176.16 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.8 p -83.14 36.93 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -89.32 155.78 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 p -148.74 152.68 37.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 t -152.92 155.03 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.03 -31.14 22.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.8 t -98.96 112.84 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 25.8 ttmt -52.13 -46.57 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.64 -39.67 54.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -67.59 -49.84 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 28.7 tp -43.68 -46.05 7.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -55.11 -46.03 75.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.8 -41.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.469 ' CE1' HG22 ' A' ' 59' ' ' VAL . 16.4 t60 -51.06 -35.69 35.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.55 -33.88 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -76.9 -9.62 58.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -114.15 -41.06 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.469 HG22 ' CE1' ' A' ' 55' ' ' HIS . 70.9 t -86.73 -64.9 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -89.81 35.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -104.15 115.8 31.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.33 120.23 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -75.38 6.31 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -105.93 -52.1 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.4 p -118.97 25.16 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' CYS . 8.7 mmpt? 36.27 47.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -109.07 121.05 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 150.86 39.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -141.11 116.56 10.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.7 m -46.96 -48.52 21.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.404 ' HB2' ' ND2' ' A' ' 79' ' ' ASN . 22.6 m-20 -113.84 110.73 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.3 p -44.73 -43.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -37.93 -48.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 76' ' ' ASP . 52.6 m-80 -64.98 -50.36 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.0 tp -43.49 -40.12 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.3 mm -60.08 -57.39 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -56.6 -39.86 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -53.5 -57.61 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 88' ' ' HIS . 89.8 mt -50.35 -42.74 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -71.53 -15.52 62.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -94.93 -64.73 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.78 -52.39 8.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 84' ' ' ILE . 68.7 m-70 -87.49 37.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 20.9 mtmm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.518 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.2 Cg_endo -69.72 -39.77 6.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.392 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 60.8 m-85 -72.43 116.72 13.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -110.65 151.05 28.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 15' ' ' CYS . 48.2 t -82.19 121.19 78.54 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -1.63 8.8 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.741 2.294 . . . . 0.0 112.351 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -110.35 -35.52 6.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.464 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -137.15 -174.98 3.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -90.09 37.35 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.706 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 46.1 t80 -86.88 156.26 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.405 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -150.89 150.51 30.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -146.97 164.36 33.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.98 22.59 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -149.56 141.53 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 tppp? -62.69 -52.17 64.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.56 60.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' HG11 ' A' ' 27' ' ' VAL . 28.4 m-20 -55.12 -68.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ASN . 23.1 tp -37.31 -41.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 34.8 m-80 -61.99 -50.35 72.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.422 HG11 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -64.83 -35.6 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.706 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 42.6 t60 -68.2 -28.55 67.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.7 mt -77.51 -21.57 52.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -54.54 -44.6 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -67.07 -18.62 65.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.7 mttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -89.64 108.05 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.52 152.69 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.7 t -72.99 137.13 45.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.54 21.29 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.432 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 1.6 m-85 -130.6 -34.73 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.29 -175.07 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -84.26 32.63 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 45' ' ' THR . 50.4 t80 -85.35 159.25 20.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 16.8 p -149.55 154.11 38.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.78 165.54 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.7 mt -110.29 33.15 4.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -172.62 104.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -36.67 -48.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.65 -53.88 9.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -60.56 -47.84 84.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 tp -48.2 -44.38 32.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -57.73 -45.88 85.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.14 -42.74 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -46.9 -41.24 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.475 ' CG2' ' HB2' ' A' ' 60' ' ' HIS . 29.0 mt -77.15 -39.13 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.49 -11.18 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' CG ' HG23 ' A' ' 59' ' ' VAL . 4.4 ptm85 -115.22 -33.69 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' CG ' ' A' ' 58' ' ' ARG . 61.5 t -98.29 -61.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 77.2 m-70 -92.86 43.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.507 HE22 ' N ' ' A' ' 77' ' ' VAL . 20.4 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 49.4 p-80 -112.8 103.08 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.1 t -46.57 158.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -106.47 -14.9 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 94.8 m-85 -85.43 -52.08 6.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 71' ' ' LYS . 17.9 p -116.59 23.25 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' CYS . 26.3 mmmt 35.32 35.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' CYS . 26.8 mttm -90.29 140.64 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -88.27 144.67 26.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.469 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 12.5 m-85 -135.46 125.84 26.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 4.5 m -83.22 24.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' SER . 6.2 m-20 -170.4 141.46 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.507 ' N ' HE22 ' A' ' 65' ' ' GLN . 13.3 p -80.71 -43.43 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.424 ' N ' HG12 ' A' ' 77' ' ' VAL . 32.3 mmtm -46.57 -47.42 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -70.75 -44.81 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -48.61 -37.32 17.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 77' ' ' VAL . 43.4 mm -61.14 -56.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -59.68 -48.05 83.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.469 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 6.2 t60 -43.56 -46.02 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.508 ' O ' ' C ' ' A' ' 88' ' ' HIS . 48.0 mt -71.25 -46.71 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -13.45 58.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -97.26 -52.45 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.01 -53.62 3.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.508 ' C ' ' O ' ' A' ' 84' ' ' ILE . 29.6 m-70 -90.62 50.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 41.5 mttm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.578 0.704 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.78 -38.0 8.36 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 57.6 m-85 -69.14 128.59 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.05 151.3 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' CYS . 48.0 t -85.37 119.04 71.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.78 5.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -111.26 -33.29 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -140.59 -175.1 4.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -88.58 37.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.761 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 39.2 t80 -90.13 152.69 21.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.94 151.96 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.5 164.95 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.64 18.95 21.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.1 mt -147.33 133.68 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.505 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 19.2 tptt -54.42 -54.68 37.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -48.64 -45.41 38.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.434 ' O ' HG11 ' A' ' 27' ' ' VAL . 2.6 m120 -50.25 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' ASN . 22.4 tp -37.05 -43.9 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 43.1 m-80 -59.98 -51.08 71.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.434 HG11 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -63.19 -34.91 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.761 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 58.1 t60 -66.99 -40.13 87.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.97 -23.29 67.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -58.54 -27.29 64.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -76.41 -25.78 54.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.6 ' CZ ' ' HD2' ' A' ' 49' ' ' LYS . 30.6 m-85 -89.19 95.43 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.67 155.69 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.3 t -77.9 138.7 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.66 19.05 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -127.25 -38.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -137.6 -175.28 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.1 t -85.21 34.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -87.51 153.48 21.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.4 p -145.91 156.91 43.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.2 t -153.78 164.45 38.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.66 -14.0 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -117.05 103.25 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.6 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -42.62 -37.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.94 -59.85 10.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -52.07 -45.9 64.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.6 tp -45.07 -43.99 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -58.98 -45.07 91.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.67 -38.91 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -51.09 -39.71 56.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.1 mt -77.83 -37.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.17 -9.04 58.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -114.34 -35.92 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.6 t -95.0 -64.32 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -88.21 40.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -115.06 112.24 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -46.74 159.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.426 ' HD3' ' C ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -104.93 -23.61 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -81.47 -67.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 p -84.84 -13.33 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt 62.16 45.14 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -105.4 127.77 53.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -76.04 145.76 39.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.502 ' CD1' HD12 ' A' ' 80' ' ' LEU . 37.8 m-85 -134.58 127.43 31.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.1 p -48.41 -50.61 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -122.26 148.68 44.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.3 p -64.9 -38.38 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 77' ' ' VAL . 5.8 mtpm? -40.53 -64.28 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -51.88 -53.41 41.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.502 HD12 ' CD1' ' A' ' 74' ' ' TYR . 64.0 tp -42.51 -45.12 4.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.8 mm -47.85 -61.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -57.97 -48.3 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -43.35 -46.78 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 88' ' ' HIS . 68.1 mt -67.7 -37.67 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 8.0 mmm180 -69.09 -25.79 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -97.38 -66.05 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.37 -53.05 62.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 84' ' ' ILE . 72.1 m-70 -105.17 39.89 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 85' ' ' ARG . 4.3 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.496 ' HB3' ' N ' ' A' ' 19' ' ' SER . 22.3 mtmt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.571 0.701 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -36.77 10.14 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.579 ' CE2' ' O ' ' A' ' 20' ' ' ALA . 2.4 m-30 -66.01 98.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.88 151.15 19.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' CYS . 53.1 t -84.82 123.26 74.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 0.45 5.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -110.22 -32.96 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 12' ' ' CYS . 6.3 p -144.56 -174.95 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -87.8 39.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 62.7 t80 -88.36 158.58 18.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -151.27 153.56 35.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.496 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -170.27 113.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.579 ' O ' ' CE2' ' A' ' 10' ' ' TYR . . . -55.28 -28.48 53.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 22.1 mt -77.0 123.1 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 7.6 tptt -58.39 -50.5 73.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.29 70.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.437 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.6 m120 -53.32 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.6 tp -38.81 -42.69 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 21.2 m-80 -61.01 -53.25 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -62.85 -36.5 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 48.8 t60 -64.61 -29.52 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.1 mt -78.23 -18.42 55.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 56.5 mtp180 -70.15 -35.89 74.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -67.75 -29.61 68.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.546 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 10.9 m-85 -89.11 106.59 18.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.29 155.96 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -80.22 140.33 36.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -87.47 19.94 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 60' ' ' HIS . 2.6 m-85 -127.74 -39.59 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -138.17 -174.58 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.5 m -83.25 32.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -84.16 152.92 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.2 p -146.91 153.01 39.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.02 143.46 22.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -76.89 -20.99 55.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m -112.9 102.46 10.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -44.28 -47.93 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.22 -50.72 9.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -63.66 -48.33 77.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.1 tp -41.86 -42.14 2.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.49 -50.0 73.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.497 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 94.3 t -54.58 -44.57 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -50.36 -36.48 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.2 mt -80.63 -36.32 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.71 -13.99 62.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' CG ' HG21 ' A' ' 59' ' ' VAL . 8.2 ptt85 -110.73 -38.62 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.409 HG21 ' CG ' ' A' ' 58' ' ' ARG . 64.7 t -90.28 -63.96 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 33.5 m-70 -97.3 50.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.456 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 33.1 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 66' ' ' HIS . 22.7 p-80 -88.79 119.88 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -56.56 121.12 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 3.77 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.29 -60.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' LYS . 22.0 p -110.57 24.47 12.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.6 OUTLIER 36.0 49.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -109.44 124.48 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -77.71 150.14 34.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -140.04 125.1 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 t -51.34 -61.02 2.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.63 128.87 54.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.4 p -54.8 -33.02 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.48 ' N ' HG13 ' A' ' 77' ' ' VAL . 26.8 mmmt -43.78 -54.51 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.02 -52.13 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 65' ' ' GLN . 55.5 tp -41.6 -42.7 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.4 -55.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -61.24 -47.93 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -47.47 -45.26 25.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.814 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.477 ' O ' ' C ' ' A' ' 88' ' ' HIS . 65.7 mt -65.9 -48.09 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.8 mtp85 -70.25 -11.42 60.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.43 -53.76 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.95 -52.6 3.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.477 ' C ' ' O ' ' A' ' 84' ' ' ILE . 70.7 m-70 -88.42 49.6 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.618 0.723 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HB3' ' N ' ' A' ' 19' ' ' SER . 12.6 mtmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.569 0.699 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.73 -33.29 17.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.395 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 59.7 m-85 -71.97 105.74 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -94.03 149.99 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' CYS . 50.1 t -83.95 124.14 74.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 0.34 5.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -111.37 -30.94 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 9.7 p -148.21 -175.38 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -86.79 38.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.674 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 48.1 t80 -89.33 145.96 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -136.03 145.99 46.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.47 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -142.34 119.79 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -55.83 -29.22 59.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.5 145.03 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 23.0 tttp -63.32 -53.74 47.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -42.32 -61.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' O ' HG12 ' A' ' 27' ' ' VAL . 8.0 t-20 -37.73 -60.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.5 tp -41.93 -41.72 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 12.9 m-80 -61.75 -48.62 79.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -67.0 -38.4 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.674 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.0 t60 -60.69 -31.42 70.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.6 mt -73.95 -21.2 60.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.3 -35.18 79.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -72.78 -13.22 61.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.497 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 9.5 m-85 -88.45 106.29 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.82 152.31 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.4 t -72.95 139.47 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -86.95 12.62 10.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.429 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 3.4 m-85 -121.51 -31.1 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.3 p -145.85 -177.22 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -83.52 36.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 45' ' ' THR . 29.7 t80 -87.43 157.77 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.41 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.0 p -152.24 154.13 35.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 t -152.3 160.06 43.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -100.23 30.92 3.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.4 t -157.99 109.06 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.497 ' HD3' ' CE2' ' A' ' 37' ' ' PHE . 3.5 ttpm? -48.8 -43.44 38.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.25 -49.71 75.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -58.95 -44.68 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.403 HD21 ' CB ' ' A' ' 37' ' ' PHE . 18.6 tp -45.32 -45.69 12.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -53.89 -50.81 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.49 -46.32 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.499 ' CE1' HG21 ' A' ' 59' ' ' VAL . 51.9 t60 -48.57 -42.49 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.2 mt -79.33 -26.03 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' C ' ' HB2' ' A' ' 61' ' ' LYS . 19.2 mt-10 -82.18 -9.06 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -119.72 -33.0 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.499 HG21 ' CE1' ' A' ' 55' ' ' HIS . 61.1 t -91.32 -65.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 23.5 m-70 -96.63 43.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' HB2' ' C ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.796 0.331 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -104.29 130.3 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.9 t -73.11 118.92 16.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -73.1 4.36 4.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.547 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 63.5 m-85 -104.42 -46.6 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.5 p -128.33 30.29 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 32.2 47.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -101.76 127.55 48.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -81.43 138.57 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.531 ' CD1' HD11 ' A' ' 80' ' ' LEU . 24.0 m-85 -133.63 114.29 13.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' TYR . 2.9 m -37.51 -48.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.52 150.51 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.43 -41.76 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.31 -60.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -53.95 -50.58 66.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.531 HD11 ' CD1' ' A' ' 74' ' ' TYR . 57.3 tp -44.91 -45.81 10.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.0 mm -46.78 -58.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -59.25 -49.3 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -43.29 -37.22 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.508 ' O ' ' C ' ' A' ' 88' ' ' HIS . 24.8 mt -72.22 -41.52 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -72.12 -12.67 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -98.04 -45.43 6.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.88 -53.89 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 57.7 m-70 -95.43 51.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 49.5 mttm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.74 -41.86 3.93 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 53.8 m-85 -68.32 120.34 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -112.1 150.47 30.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 15' ' ' CYS . 38.9 t -83.95 118.96 72.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.661 0.744 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.0 11.12 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -109.19 -37.7 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -134.64 -175.33 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.8 m -90.31 38.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.751 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 41.3 t80 -90.57 155.95 18.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -150.19 148.89 29.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.1 170.89 15.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.96 -32.76 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.111 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.7 mt -92.85 147.91 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -70.14 -50.71 37.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.03 -33.51 52.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.417 ' O ' HG13 ' A' ' 27' ' ' VAL . 18.3 m-20 -57.64 -64.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.8 tp -40.32 -36.52 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -66.26 -50.23 64.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -65.8 -34.99 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.751 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 52.9 t60 -64.87 -34.62 78.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.26 -22.76 62.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -59.51 -24.38 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -78.7 -28.52 45.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 92.0 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.77 0.319 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 49' ' ' LYS . 21.7 m-85 -96.56 95.1 7.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.84 143.8 54.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.9 138.35 58.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -85.26 18.07 2.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.1 m-85 -127.01 -32.35 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.51 -175.0 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 t -83.95 36.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 45' ' ' THR . 25.8 t80 -86.27 157.9 19.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.417 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 16.9 p -151.97 154.27 35.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.1 t -153.08 160.86 42.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 47' ' ' LEU . 2.2 mm? -99.26 30.83 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.1 m -158.0 143.34 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.573 ' HG2' ' CE2' ' A' ' 37' ' ' PHE . 12.2 mttt -75.68 -49.17 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.65 -43.72 91.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -62.42 -50.36 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 tp -42.44 -44.53 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -59.03 -50.79 72.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.488 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 31.7 t -51.69 -42.8 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -51.16 -41.94 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mt -76.95 -22.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -86.07 -10.42 54.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 12.4 ptt85 -114.66 -37.72 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.415 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 69.5 t -88.43 -65.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -95.96 43.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -112.4 132.37 55.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.0 t -58.89 158.82 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.55 ' HD2' ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -105.8 -11.03 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.55 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 50.8 m-85 -88.9 -46.19 9.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.5 p -119.3 18.44 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? 40.64 42.37 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 74' ' ' TYR . 10.1 tptt -89.38 112.71 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -74.77 130.16 38.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.448 ' CE2' ' HG2' ' A' ' 72' ' ' LYS . 32.7 m-85 -128.58 116.78 20.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -51.58 -52.62 45.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -102.25 135.88 43.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.0 p -66.24 -40.69 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -42.85 -46.71 5.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -66.35 -52.27 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 tp -44.29 -44.14 7.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.1 mm -53.85 -53.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -63.31 -29.39 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -64.64 -44.11 91.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 88' ' ' HIS . 76.5 mt -67.87 -45.28 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -65.69 -20.56 66.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -97.03 -66.51 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.62 -52.37 61.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' ILE . 41.5 m-70 -106.48 39.14 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.621 0.724 . . . . 0.0 110.862 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HB3' ' N ' ' A' ' 19' ' ' SER . 11.7 mttm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.559 0.695 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.1 Cg_endo -69.75 -37.26 9.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.408 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 49.0 m-85 -64.61 117.47 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -109.88 151.37 27.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.91 121.05 75.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.07 3.88 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 28.3 mt-30 -115.33 -34.77 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 3.2 p -139.77 -175.07 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 t -88.8 35.51 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.744 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 33.7 t80 -85.61 154.26 21.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.96 157.32 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.062 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.493 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -168.49 128.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -74.23 42.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.452 HG13 ' C ' ' A' ' 20' ' ' ALA . 72.2 mt -155.31 128.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -59.88 -60.35 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.32 -38.63 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.415 ' O ' HG11 ' A' ' 27' ' ' VAL . 3.3 m120 -56.23 -66.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 tp -39.47 -38.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -65.06 -47.84 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -68.27 -38.48 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.744 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 49.6 t60 -64.55 -25.61 68.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.4 mt -82.49 -20.34 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -51.82 -44.34 63.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 20.0 pttt -67.8 -25.62 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.421 ' HB3' ' CD ' ' A' ' 14' ' ' GLN . 37.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.534 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 65.7 m-85 -93.96 109.18 20.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.48 151.53 25.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.6 t -78.43 136.0 37.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.88 22.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 1.7 m-85 -130.45 -35.42 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.0 p -140.79 -174.99 4.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 t -84.06 32.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -84.81 153.08 23.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.7 p -149.42 147.33 28.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -142.99 165.74 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 tp -96.65 -25.94 15.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.497 ' O ' ' C ' ' A' ' 49' ' ' LYS . 3.6 m -115.54 89.57 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.534 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -30.24 -40.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -43.42 -51.71 6.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -67.29 -45.1 77.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.2 tp -45.61 -41.22 9.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -58.55 -43.63 89.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.84 -35.67 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.53 -38.65 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 60' ' ' HIS . 22.9 mt -78.74 -36.07 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.33 -9.75 59.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -115.15 -32.78 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.4 t -98.48 -61.48 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 81.6 m-70 -91.07 41.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.838 0.352 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -98.26 127.96 44.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 16.6 t -64.84 129.15 38.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.402 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -83.28 18.04 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.402 ' CE2' ' HD3' ' A' ' 68' ' ' ARG . 57.3 m-85 -119.62 -44.65 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 27.1 p -127.03 22.54 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.1 mptt 38.81 53.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -112.11 120.85 43.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -73.65 148.47 42.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -136.81 178.04 7.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.0 m -106.29 -50.91 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -105.43 106.8 17.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 81' ' ' ILE . 7.8 p -44.31 -34.22 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -57.44 -54.4 47.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.23 -32.68 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.81 -40.69 89.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 77' ' ' VAL . 35.7 mm -58.78 -50.8 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.1 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -48.92 -47.48 43.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' HIS . 22.1 mt -67.31 -35.41 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -71.28 -23.7 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -94.81 -61.61 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.81 -52.18 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 84' ' ' ILE . 55.8 m-70 -94.36 35.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.412 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 2.4 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 8.3 mtmp? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.55 0.69 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.0 Cg_endo -69.75 -38.65 7.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 63.1 m-85 -70.7 133.03 46.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.06 149.66 48.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 15' ' ' CYS . 42.2 t -83.7 120.17 74.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -2.54 10.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.373 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -109.19 -35.62 6.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.473 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -136.54 -175.43 4.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -89.78 37.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.636 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 39.8 t80 -88.29 156.38 19.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -149.97 149.01 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -145.87 161.7 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.79 -28.25 16.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 22' ' ' LYS . 79.4 mt -98.9 143.57 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.443 ' N ' HG23 ' A' ' 21' ' ' ILE . 13.0 tptm -64.21 -50.47 67.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.74 -35.87 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' O ' HG13 ' A' ' 27' ' ' VAL . 9.8 m-20 -55.51 -60.9 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 tp -43.28 -37.03 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -66.99 -54.3 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -59.7 -33.53 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.636 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 56.8 t60 -65.87 -50.6 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.58 -29.39 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -55.5 -17.06 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.551 ' CB ' ' NZ ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -82.0 -20.94 37.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.759 0.314 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 78.0 m-85 -104.19 98.96 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.68 149.4 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.1 t -77.54 136.47 38.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.52 21.79 2.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.434 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 1.6 m-85 -129.52 -32.92 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.984 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.1 p -144.15 -175.0 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.2 m -83.41 30.86 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -82.26 155.37 24.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.1 p -150.29 153.69 36.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.61 170.09 21.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.65 -27.95 12.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 49' ' ' LYS . 2.1 t -107.37 86.68 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.547 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -31.51 -38.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -49.14 -50.29 28.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.553 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -64.28 -43.37 94.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.1 tp -44.82 -44.63 9.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -54.09 -44.39 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.41 -38.65 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -54.23 -38.72 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.7 mt -79.36 -26.63 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 4.8 mm-40 -87.6 -9.57 53.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -113.49 -39.81 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -90.99 -64.05 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -88.26 38.61 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.83 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.454 ' CG ' HD23 ' A' ' 80' ' ' LEU . 2.9 tp-100 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -117.61 117.53 29.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.6 t -47.0 126.34 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.52 12.64 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -115.86 -41.16 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.7 p -132.14 26.24 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' CYS . 26.2 mttm 35.06 54.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -101.67 122.28 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -77.82 133.57 38.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -128.48 133.18 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 t -61.02 -48.35 82.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -118.97 112.89 20.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 78' ' ' LYS . 7.4 p -39.71 -46.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.464 ' HG3' ' ND2' ' A' ' 79' ' ' ASN . 7.2 ptmt -35.78 -44.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.464 ' ND2' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m120 -67.41 -48.26 67.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.454 HD23 ' CG ' ' A' ' 65' ' ' GLN . 49.6 tp -47.38 -41.43 19.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.3 mm -54.67 -57.01 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -60.64 -46.94 88.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -47.72 -47.69 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' HIS . 96.9 mt -62.71 -51.17 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -60.51 -21.89 62.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -88.7 -66.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.64 -52.1 23.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 84' ' ' ILE . 29.8 m-70 -101.73 42.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HA ' ' C ' ' A' ' 19' ' ' SER . 30.3 mttp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.611 0.719 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 54.2 Cg_endo -69.68 -28.23 25.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.446 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 2.3 m-30 -68.5 100.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -92.23 148.17 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -84.21 119.86 73.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.74 5.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.234 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.413 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 24.1 mt-30 -113.05 -37.42 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.522 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -135.59 -173.76 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -90.2 37.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 55.1 t80 -90.11 147.75 23.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.31 149.4 49.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.449 ' C ' ' HA ' ' A' ' 8' ' ' LYS . 1.7 t -154.4 171.23 19.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.17 25.03 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 69.0 mt -149.3 115.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.526 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 11.3 tttt -42.71 -52.04 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.14 -43.83 52.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.413 ' O ' HG11 ' A' ' 27' ' ' VAL . 2.9 m-80 -59.64 -61.11 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.2 tp -44.03 -34.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 69.0 m-80 -67.87 -55.53 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -59.98 -32.54 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.602 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.7 t60 -71.25 -32.54 68.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.9 mt -74.98 -29.18 60.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.409 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 32.5 mtm180 -45.24 -50.42 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -62.06 -29.97 70.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 55.9 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 mttp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.813 0.339 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 78.9 m-85 -95.29 105.84 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.98 147.35 28.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.1 138.36 43.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -86.5 21.91 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 1.7 m-85 -130.44 -32.41 1.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -145.04 -175.09 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.3 t -84.1 36.58 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 45' ' ' THR . 47.7 t80 -88.82 159.15 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.0 p -150.79 155.33 39.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.92 143.64 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.3 mt -77.19 -27.63 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 50' ' ' GLY . 94.6 p -109.94 88.07 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -31.75 -37.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -51.14 -50.31 40.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -66.7 -38.96 87.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 18.3 tp -49.58 -32.73 13.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -66.06 -40.79 91.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.72 -36.03 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -54.13 -38.79 65.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.6 mt -77.09 -29.77 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -82.19 -10.08 59.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -113.33 -34.56 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.5 t -95.18 -62.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -93.91 45.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.415 ' CD ' ' HB ' ' A' ' 77' ' ' VAL . 2.1 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -125.57 111.53 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.4 t -47.07 158.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -105.95 -19.19 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.479 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 79.5 m-85 -84.38 -53.33 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.9 p -107.27 18.0 22.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' CYS . 20.5 mmmt 35.63 38.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -86.5 176.7 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 7.7 tttt -119.54 145.1 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 31.7 m-85 -146.83 119.94 8.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.6 m -56.62 -53.85 52.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -99.71 132.01 45.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 78' ' ' LYS . 10.2 p -68.2 -38.67 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.467 ' N ' HG12 ' A' ' 77' ' ' VAL . 40.7 mttt -43.87 -50.6 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -63.02 -52.61 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.3 tp -42.56 -44.71 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.2 mm -52.26 -53.85 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -62.16 -48.75 78.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -44.39 -47.08 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.518 ' O ' ' C ' ' A' ' 88' ' ' HIS . 62.4 mt -63.14 -40.45 89.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -72.54 -12.29 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -96.86 -50.63 4.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.64 -53.57 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.518 ' C ' ' O ' ' A' ' 84' ' ' ILE . 47.7 m-70 -89.14 49.25 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.618 0.723 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.466 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 28.2 mttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.567 0.699 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.83 -36.48 10.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 22' ' ' LYS . 41.8 m-85 -70.64 117.53 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -110.69 151.78 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -82.65 121.21 77.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -111.01 -34.57 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 3.1 p -138.41 -174.99 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -89.01 35.41 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.735 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 58.1 t80 -86.57 146.5 26.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.54 137.14 36.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -131.07 143.06 50.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.57 -25.4 61.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.2 mt -110.06 152.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.553 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -69.25 -45.05 70.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ASN . . . -53.75 -54.32 39.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.429 ' O ' HG11 ' A' ' 27' ' ' VAL . 6.0 t-20 -42.17 -46.75 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.76 -35.47 66.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.1 m-80 -66.96 -47.17 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -68.91 -34.11 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.735 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 37.2 t60 -67.43 -25.66 66.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.2 mt -81.1 -27.57 35.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.0 mtt85 -47.73 -45.25 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 18.2 pttt -65.38 -34.91 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.0 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.507 ' CE2' ' HE2' ' A' ' 49' ' ' LYS . 1.9 m-85 -86.25 102.95 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.08 157.24 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -77.23 134.95 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -83.45 15.92 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.558 ' CE1' HG22 ' A' ' 56' ' ' ILE . 6.7 m-85 -124.16 -36.15 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -140.46 -175.29 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m -84.79 36.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -88.72 156.46 18.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.3 p -151.02 153.95 36.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.8 t -148.88 160.53 43.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 47' ' ' LEU . 4.2 mm? -101.08 33.64 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -165.13 105.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HE2' ' CE2' ' A' ' 37' ' ' PHE . 7.5 ptpt -43.03 -47.73 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.85 -51.85 37.6 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -59.53 -46.95 87.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.4 tp -44.49 -44.84 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -55.81 -46.62 78.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.17 -41.68 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -51.46 -46.2 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.558 HG22 ' CE1' ' A' ' 41' ' ' TYR . 28.4 mt -75.38 -37.61 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -70.43 -12.06 61.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -113.49 -32.11 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.5 t -98.38 -60.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 30.3 m-70 -101.91 56.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.701 HE22 ' N ' ' A' ' 77' ' ' VAL . 7.7 mt-30 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 66' ' ' HIS . 13.6 p-80 -89.88 122.24 32.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 6.5 t -46.77 160.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 6.3 ttt180 -96.73 -9.25 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 2.1 m-85 -105.27 -62.11 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 72' ' ' LYS . 21.4 p -102.42 23.1 12.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.56 38.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.9 ttmm -80.93 129.51 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -71.07 139.52 50.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.475 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 17.9 m-85 -132.91 164.35 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -105.33 -50.13 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -108.59 121.26 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.701 ' N ' HE22 ' A' ' 65' ' ' GLN . 11.2 p -49.68 -49.48 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' VAL . 1.6 mmmp? -36.49 -56.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -59.93 -51.93 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 tp -42.31 -40.02 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.2 mm -63.4 -58.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 25.8 ttmt -56.34 -39.49 72.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.475 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 8.4 t60 -49.09 -54.21 17.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 23.9 mt -55.56 -42.13 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 89' ' ' ASP . 25.6 mtm180 -77.41 -9.37 58.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 82' ' ' LYS . 54.3 m-20 -96.77 -40.54 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.2 -52.84 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.422 ' NE2' ' HB2' ' A' ' 69' ' ' PHE . 37.1 m-70 -89.33 48.64 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 85' ' ' ARG . 13.9 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.607 0.717 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.4 mttm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.635 0.731 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.4 Cg_endo -69.76 -34.7 14.05 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 44.2 m-85 -67.09 120.55 13.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -111.41 151.35 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 15' ' ' CYS . 52.6 t -85.99 122.06 72.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 1.05 4.81 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.514 ' HB2' ' CD2' ' A' ' 32' ' ' HIS . 12.3 mt-30 -112.3 -31.02 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.485 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.7 p -146.79 -175.01 4.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -87.41 35.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.749 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 19.2 t80 -89.16 153.89 20.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.9 158.26 39.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -157.54 132.21 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.46 -22.5 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.061 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 mp -101.13 147.94 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -74.03 -42.58 60.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.73 -50.61 69.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -45.6 -40.11 8.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -62.83 -35.89 81.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -69.08 -45.29 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -70.59 -40.21 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.749 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 52.4 t60 -59.49 -34.65 72.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.6 mt -68.2 -28.25 67.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -54.45 -39.5 67.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -60.41 -36.94 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 14' ' ' GLN . 55.4 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -87.85 91.46 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.96 150.46 40.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.4 t -78.62 138.35 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -86.85 18.45 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.6 m-85 -127.44 -34.67 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.2 p -141.66 -174.96 4.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -83.46 32.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -82.81 155.53 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.4 p -152.34 154.95 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 t -153.95 178.65 9.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.17 28.7 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -166.1 106.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -44.34 -50.26 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.22 -46.92 8.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -69.89 -46.39 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.3 tp -48.66 -40.51 28.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -47.84 83.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.1 t -58.45 -40.63 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -51.73 -38.67 56.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.9 mt -79.22 -34.16 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.59 -11.44 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.41 ' CG ' HG23 ' A' ' 59' ' ' VAL . 12.5 ptt85 -112.0 -38.62 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.41 HG23 ' CG ' ' A' ' 58' ' ' ARG . 90.5 t -92.06 -62.89 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -93.5 42.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.491 ' CG ' HD23 ' A' ' 80' ' ' LEU . 3.3 tp60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 17.4 p-80 -109.48 120.92 43.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 t -50.82 127.29 18.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -82.78 21.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 68' ' ' ARG . 24.7 m-85 -121.12 -54.94 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.68 12.17 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp 46.65 49.96 13.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -112.27 117.83 33.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 14.6 ptmt -90.05 136.81 32.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.4 ' HB3' ' OD1' ' A' ' 79' ' ' ASN . 12.0 m-85 -118.54 154.8 31.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -70.46 -52.49 21.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' LYS . 66.3 m-20 -116.68 106.43 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 76' ' ' ASP . 14.4 p -33.41 -32.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 76' ' ' ASP . 25.7 mtmm -43.44 -55.98 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 80' ' ' LEU . 7.3 p30 -62.07 -48.24 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 65' ' ' GLN . 51.6 tp -45.24 -39.42 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 31.3 mm -56.42 -50.92 70.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -64.67 -43.54 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -50.33 -39.24 45.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.478 ' O ' ' C ' ' A' ' 88' ' ' HIS . 80.6 mt -70.2 -49.62 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -69.78 -11.85 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.84 -37.76 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.48 -52.62 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.478 ' C ' ' O ' ' A' ' 84' ' ' ILE . 37.7 m-70 -99.75 54.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.0 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HB3' ' N ' ' A' ' 19' ' ' SER . 15.3 mtmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -28.53 24.91 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.526 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 2.1 m-30 -70.32 101.95 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -93.07 144.61 25.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -83.76 121.82 76.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 1.28 4.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -111.9 -33.45 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 2.4 p -146.2 -175.01 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -86.74 35.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 45.9 t80 -85.56 153.41 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -147.77 151.99 36.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -170.34 118.16 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.441 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -72.46 48.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.441 HG13 ' C ' ' A' ' 20' ' ' ALA . 78.2 mt -155.45 115.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.518 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 13.5 tppt? -46.53 -60.78 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.74 -47.96 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.0 m120 -52.27 -67.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 tp -39.02 -40.73 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 66.1 m-80 -64.13 -54.57 31.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -61.06 -36.86 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.732 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 59.6 t60 -65.89 -30.9 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.11 -25.99 58.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -65.94 -40.57 91.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -62.44 -27.44 69.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.885 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.604 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 24.3 m-85 -89.75 92.68 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.9 150.28 44.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -69.37 135.99 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.94 18.45 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.2 m-85 -127.2 -34.48 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -141.07 -177.11 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.9 t -84.71 36.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.422 ' CG ' ' N ' ' A' ' 45' ' ' THR . 16.1 t80 -90.67 157.5 17.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.422 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 19.6 p -148.49 156.55 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.8 t -150.92 153.37 35.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 47' ' ' LEU . 3.5 mm? -96.49 36.59 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.67 107.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.604 ' HD3' ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -39.17 -50.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.16 -59.69 8.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -48.54 -48.44 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.4 tp -47.32 -44.71 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -57.16 -49.48 75.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.7 t -53.98 -43.57 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -50.83 -41.46 57.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.92 -36.46 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.34 -9.32 58.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -117.31 -32.97 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 63.9 t -95.8 -63.22 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -93.55 42.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.483 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 1.8 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 15.9 p-80 -99.32 115.41 29.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 t -49.11 120.1 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 12.43 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.407 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 40.6 m-85 -110.64 -48.98 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -121.13 23.89 10.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt 38.89 49.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 66' ' ' HIS . 13.8 ttmt -99.8 173.57 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -121.84 126.72 49.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.512 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 9.4 m-85 -127.26 -28.98 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 8.3 t 52.52 25.01 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.504 ' CG ' ' O ' ' A' ' 75' ' ' SER . 17.1 m-20 -164.3 105.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 81' ' ' ILE . 6.6 p -48.84 -55.09 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 77' ' ' VAL . 29.5 mttm -35.35 -60.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.99 -50.09 72.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 51.0 tp -46.28 -36.31 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 77' ' ' VAL . 47.0 mm -59.92 -63.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -50.07 -42.2 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.512 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 24.3 t60 -57.1 -60.16 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' HIS . 89.5 mt -52.92 -44.7 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -68.13 -16.07 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.81 -66.66 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.89 -52.22 13.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 84' ' ' ILE . 47.5 m-70 -91.84 34.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.443 ' HA ' ' C ' ' A' ' 19' ' ' SER . 8.8 mtpm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.553 0.692 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 54.1 Cg_endo -69.74 -31.64 20.24 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.45 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 3.0 m-30 -57.59 99.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 33.1 mmtp -92.79 151.53 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 41.7 t -89.09 120.35 69.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 2.37 3.61 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -112.28 -33.6 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 p -142.29 -174.34 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -86.59 34.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.75 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 66.5 t80 -85.55 151.01 24.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -138.09 155.51 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.443 ' C ' ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -160.07 173.6 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.92 -27.21 7.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.65 134.99 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.511 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -55.77 -44.01 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.13 -49.96 65.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.069 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.415 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.1 t-20 -50.17 -60.21 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.5 tp -46.79 -44.62 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 71.1 m-80 -60.75 -53.2 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -64.1 -31.22 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.75 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.7 t60 -69.21 -35.28 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 mt -72.88 -20.46 61.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -59.07 -43.09 91.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -65.81 -19.36 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mttt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 38.6 m-85 -90.66 109.12 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.22 155.92 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -82.39 138.15 34.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.3 23.08 1.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -130.55 -36.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 p -142.49 -175.02 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 t -82.6 36.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -87.87 152.04 22.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 p -147.18 152.99 39.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -152.64 156.65 39.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.2 mt -90.45 -27.47 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -100.28 100.68 11.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.552 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 6.6 ptpt -39.17 -48.82 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -53.95 -44.1 71.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -61.28 -39.64 91.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.333 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.3 tp -54.61 -45.26 73.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.562 ' HG2' ' N ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -56.25 -36.88 69.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.562 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 84.3 t -66.81 -44.3 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.407 ' ND1' HG21 ' A' ' 59' ' ' VAL . 28.2 t60 -52.06 -39.56 59.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.9 mt -79.01 -32.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -79.88 -10.56 59.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.437 ' CG ' HG23 ' A' ' 59' ' ' VAL . 6.1 ptm180 -112.67 -39.16 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG23 ' CG ' ' A' ' 58' ' ' ARG . 62.7 t -88.14 -67.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -88.3 39.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.459 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -106.54 111.03 23.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.03 113.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -69.47 -2.69 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.46 ' CE2' ' HD3' ' A' ' 68' ' ' ARG . 75.7 m-85 -93.97 -64.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.0 p -104.63 25.66 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 36.25 45.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 12.4 ttmm -94.1 146.07 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -93.33 127.73 39.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 72' ' ' LYS . 27.2 m-85 -129.17 134.09 47.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 m -76.73 -50.14 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.422 ' HB2' ' ND2' ' A' ' 79' ' ' ASN . 1.6 m-20 -106.95 133.11 52.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 78' ' ' LYS . 7.3 p -66.25 -41.92 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.483 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -42.44 -47.39 4.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 76' ' ' ASP . 68.1 m-20 -67.44 -50.17 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.443 HD11 ' CD1' ' A' ' 74' ' ' TYR . 59.3 tp -45.83 -44.41 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.5 mm -49.1 -54.43 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -60.79 -48.03 83.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -50.36 -47.57 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' HIS . 62.8 mt -61.44 -49.82 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -63.85 -17.68 63.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -90.84 -66.17 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.65 -52.03 14.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 84' ' ' ILE . 22.9 m-70 -99.44 42.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.851 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' CB ' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.1 Cg_endo -69.83 -35.78 11.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 32.7 m-85 -68.72 127.22 32.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -116.78 150.97 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 15' ' ' CYS . 43.7 t -81.01 128.38 71.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -11.38 30.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -101.56 -41.6 6.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 7.8 p -132.83 -176.81 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -87.63 34.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 31.1 t80 -82.69 156.69 23.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB2' ' CB ' ' A' ' 8' ' ' LYS . . . -148.38 156.53 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.069 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -158.91 115.02 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.08 -29.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 22' ' ' LYS . 19.3 mt -92.32 142.64 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.426 ' N ' HG23 ' A' ' 21' ' ' ILE . 13.8 tptm -71.71 -52.98 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.71 -37.05 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -52.91 -61.23 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.6 tp -41.2 -42.88 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -58.58 -51.36 70.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -65.57 -42.09 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.585 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 43.0 t60 -51.89 -34.38 40.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.75 -19.43 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 27' ' ' VAL . 13.3 mmm-85 -57.98 -39.67 78.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -72.73 -18.58 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.611 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 6.3 m-85 -93.98 98.14 10.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.2 150.98 47.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.0 t -73.61 140.1 45.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.22 15.42 5.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.0 m-85 -124.19 -33.34 3.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 p -144.12 -175.38 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -85.0 35.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.434 ' CG ' ' N ' ' A' ' 45' ' ' THR . 51.3 t80 -88.3 159.26 18.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 12.8 p -149.63 150.28 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.72 152.85 42.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -95.21 32.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -168.91 126.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.611 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 4.5 mttm -56.0 -63.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.61 -48.46 3.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -60.11 -55.43 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 tp -43.18 -41.38 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -57.68 -44.73 86.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.32 -42.2 95.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -47.01 -39.46 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.3 mt -78.51 -36.51 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.31 -10.0 59.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -113.26 -37.82 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.1 t -92.12 -63.19 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -90.51 37.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.444 ' CB ' HD21 ' A' ' 80' ' ' LEU . 28.5 mt-30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 23.2 p-80 -119.05 116.05 25.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.4 t -48.87 156.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.494 ' HD3' ' CD1' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -101.93 -7.1 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.494 ' CD1' ' HD3' ' A' ' 68' ' ' ARG . 8.2 m-85 -100.38 -58.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 71' ' ' LYS . 27.1 p -102.45 16.05 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 70' ' ' CYS . 18.9 mtpt 35.9 45.3 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -100.81 125.43 47.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -79.82 149.14 31.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 75' ' ' SER . 42.2 m-85 -137.78 115.08 11.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 74' ' ' TYR . 84.5 p -34.97 -51.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -119.92 137.33 54.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.1 p -60.86 -39.85 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.418 ' N ' HG13 ' A' ' 77' ' ' VAL . 54.7 mttm -39.54 -51.89 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -63.93 -49.32 73.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.444 HD21 ' CB ' ' A' ' 65' ' ' GLN . 40.4 tp -45.36 -41.65 9.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.2 mm -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -62.39 -35.86 80.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -58.58 -39.26 79.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' HIS . 82.4 mt -73.04 -51.62 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -61.3 -21.07 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -97.06 -65.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.36 -52.02 51.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 84' ' ' ILE . 57.3 m-70 -102.83 41.47 1.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.83 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.702 . . . . 0.0 110.835 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 30.9 mttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.0 Cg_endo -69.77 -29.75 23.31 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.3 m-85 -77.06 131.23 38.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -118.44 150.71 39.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' CYS . 52.7 t -84.82 123.2 74.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.2 13.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 29.0 mt-30 -106.56 -37.77 6.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 9.2 p -138.33 -174.7 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -87.41 33.53 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.756 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 49.7 t80 -84.26 143.44 29.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.35 137.48 40.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -129.37 143.83 51.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.99 -28.01 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.1 mt -105.81 155.74 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 21.8 tptp -72.85 -52.17 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.9 -42.46 27.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.065 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.434 ' O ' HG12 ' A' ' 27' ' ' VAL . 9.4 t-20 -52.78 -66.22 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -38.63 -41.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 29.6 m-80 -61.92 -44.62 96.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -71.25 -38.65 70.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.756 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 37.9 t60 -64.99 -18.85 65.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.3 mt -91.01 -23.52 20.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -57.52 -38.91 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -77.25 -14.15 59.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.406 ' HB3' ' CD ' ' A' ' 14' ' ' GLN . 14.6 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.4 mttp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -93.44 97.9 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.97 152.12 42.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.93 135.95 37.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.72 18.19 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.417 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 2.6 m-85 -126.16 -31.87 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -146.04 -175.13 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -83.8 34.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.425 ' CG ' ' N ' ' A' ' 45' ' ' THR . 45.4 t80 -86.24 158.87 19.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.425 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 14.6 p -150.67 153.84 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.0 t -148.49 173.44 13.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.22 36.87 4.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 p -174.6 105.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -37.94 -48.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.2 -59.88 6.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -54.84 -48.15 73.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.6 tp -48.79 -40.19 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HG2' ' N ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -60.54 -37.28 80.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.521 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 87.8 t -67.0 -43.81 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.458 ' CE1' HG22 ' A' ' 59' ' ' VAL . 36.5 t60 -51.88 -37.89 53.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.06 -34.5 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -77.18 -9.85 59.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.446 ' CG ' HG21 ' A' ' 59' ' ' VAL . 9.6 ptm180 -113.81 -42.23 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.458 HG22 ' CE1' ' A' ' 55' ' ' HIS . 59.8 t -85.52 -64.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 19.8 m-70 -95.5 44.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' NE2' ' HB ' ' A' ' 77' ' ' VAL . 30.3 mt-30 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 44.1 p-80 -111.1 134.12 52.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.2 t -47.04 157.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.589 ' HD2' ' CD1' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -101.9 -3.57 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.589 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 21.1 m-85 -105.6 -44.78 4.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' LYS . 28.4 p -113.41 15.26 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' CYS . 6.4 mptt 34.76 54.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 66' ' ' HIS . 20.3 tttm -109.53 112.6 24.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 9.0 ptpp? -67.32 147.74 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -133.91 127.16 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.6 t -46.15 -42.44 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -129.94 158.66 38.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.471 ' HB ' ' NE2' ' A' ' 65' ' ' GLN . 12.9 p -70.03 -46.34 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -34.75 -62.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -53.38 -51.55 62.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 65' ' ' GLN . 56.0 tp -47.38 -39.74 15.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.7 mm -59.73 -54.45 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -63.44 -47.79 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -43.4 -44.52 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.559 ' O ' ' C ' ' A' ' 88' ' ' HIS . 51.8 mt -66.88 -42.32 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -70.69 -12.8 61.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -97.53 -51.6 4.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.77 -53.2 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.559 ' C ' ' O ' ' A' ' 84' ' ' ILE . 15.8 m-70 -105.05 60.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.423 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 12.6 mttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.563 0.697 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.3 Cg_endo -69.74 -44.17 2.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 32.9 m-85 -64.37 128.99 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -126.67 151.75 47.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 15' ' ' CYS . 50.8 t -86.07 125.61 67.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -11.09 30.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' NE2' ' CB ' ' A' ' 32' ' ' HIS . 30.8 mt-30 -96.47 -41.59 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 12' ' ' CYS . 11.5 p -134.77 177.37 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 t -82.18 40.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 34.9 t80 -89.26 147.64 24.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.46 150.27 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 t -154.21 142.47 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.01 7.79 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.6 mm -124.67 119.47 56.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -53.4 -49.26 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.64 -46.59 73.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -46.95 -60.79 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 tp -41.64 -47.07 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -55.96 -51.02 69.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.24 -51.66 68.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -44.7 -47.67 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -51.36 -30.5 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -49.42 -29.58 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -73.43 -28.13 61.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.478 ' CB ' ' NE2' ' A' ' 14' ' ' GLN . 61.5 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.839 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.6 mttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.828 0.346 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 49' ' ' LYS . 35.2 m-85 -94.62 95.25 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 144.56 54.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.1 t -70.33 139.03 51.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.71 21.34 2.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.3 m-85 -130.83 -32.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.4 p -144.24 -179.31 6.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 m -81.92 38.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -89.07 150.98 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -149.81 149.72 30.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.4 t -150.02 159.6 44.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' N ' HD23 ' A' ' 47' ' ' LEU . 4.5 mm? -97.78 35.22 1.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.4 t -162.98 106.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 13.9 ptmt -46.77 -51.41 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.59 -53.91 8.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.412 ' C ' ' CD2' ' A' ' 51' ' ' HIS . 2.5 t-160 -53.81 -53.5 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.3 tp -40.54 -47.3 2.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -53.36 -46.22 69.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.0 -41.14 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -51.48 -39.81 58.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.1 mt -78.09 -39.76 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.22 -14.01 62.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' CG ' HG22 ' A' ' 59' ' ' VAL . 5.8 ptm180 -110.33 -37.75 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.433 HG22 ' CG ' ' A' ' 58' ' ' ARG . 63.6 t -90.72 -64.42 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -99.24 54.35 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.553 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 33.2 p-80 -131.56 111.73 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 27.5 t -46.36 160.25 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -109.85 -18.68 13.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.431 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 45.8 m-85 -77.93 -56.09 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -107.57 -4.62 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 67' ' ' CYS . 39.0 mmtm 65.96 28.23 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.445 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 4.3 tptm -79.93 124.86 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -80.36 154.61 27.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.523 ' CD1' HD12 ' A' ' 80' ' ' LEU . 48.9 m-85 -151.18 131.61 13.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.4 t -61.12 -57.01 14.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.84 134.4 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.02 -41.02 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -39.42 -55.81 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.1 -52.29 65.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.523 HD12 ' CD1' ' A' ' 74' ' ' TYR . 59.5 tp -42.52 -44.51 4.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.4 mm -52.97 -51.19 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -39.96 94.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -47.31 -47.74 25.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 88' ' ' HIS . 38.2 mt -65.44 -47.66 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -53.79 -25.23 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -97.81 -66.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.7 62.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.476 ' C ' ' O ' ' A' ' 84' ' ' ILE . 44.2 m-70 -107.58 44.06 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.523 ' HB3' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.78 -44.51 2.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -59.94 101.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.46 151.14 19.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 15' ' ' CYS . 43.9 t -81.88 124.92 78.83 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -1.45 8.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -109.4 -33.96 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.6 p -141.15 -175.12 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 p -86.88 31.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 69.0 t80 -81.44 156.21 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -145.78 148.93 33.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.523 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -155.62 118.61 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -79.0 31.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 22' ' ' LYS . 61.0 mt -152.68 105.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.535 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -33.9 -54.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.43 -47.92 18.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.426 ' O ' HG12 ' A' ' 27' ' ' VAL . 44.6 m-20 -55.37 -65.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 tp -41.61 -37.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 68.9 m-80 -65.01 -48.13 75.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -69.64 -28.67 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.678 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 66.2 t60 -70.03 -40.21 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.809 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.37 -18.33 64.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.573 ' CE ' ' CE1' ' A' ' 28' ' ' HIS . 0.7 OUTLIER -65.77 -18.79 65.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.808 0.337 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 22.0 m-85 -90.26 107.78 19.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.7 146.35 31.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.6 t -69.11 139.89 54.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -86.59 20.05 2.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -128.22 -34.89 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.9 p -140.87 -176.76 4.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.3 p -84.26 33.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -87.41 155.52 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 p -146.55 155.34 42.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.5 t -147.28 169.89 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 4.0 mm? -109.52 36.03 3.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -172.21 105.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 8.3 pttt -41.08 -47.71 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.29 -51.58 35.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -58.24 -46.71 85.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.3 tp -44.15 -41.92 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -58.43 -46.79 85.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.9 t -58.33 -40.15 76.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.456 ' CE1' HG23 ' A' ' 59' ' ' VAL . 33.2 t60 -52.91 -39.05 62.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.9 mt -79.51 -30.78 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -77.8 -8.97 58.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -117.41 -38.12 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG23 ' CE1' ' A' ' 55' ' ' HIS . 71.8 t -88.85 -65.4 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -97.51 48.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -104.99 110.93 23.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.7 t -47.85 123.65 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -83.65 25.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -120.68 -44.19 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 5.9 p -129.0 8.71 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? 61.87 31.04 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 7.4 tptm -80.91 123.29 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.93 154.28 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -153.64 138.28 16.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.0 t -76.03 -44.82 37.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.6 123.25 46.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 78' ' ' LYS . 12.0 p -50.44 -37.96 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.459 ' N ' HG12 ' A' ' 77' ' ' VAL . 25.1 mtmm -43.76 -46.66 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.04 -50.25 62.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 tp -44.79 -41.82 7.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.79 -49.47 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -61.75 -42.22 98.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -52.11 -58.84 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 88' ' ' HIS . 27.5 mt -49.52 -48.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -66.22 -12.68 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -95.43 -63.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.71 -50.64 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 84' ' ' ILE . 59.0 m-70 -95.44 46.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 89' ' ' ASP . 8.2 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.706 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 35.9 mtpt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.6 Cg_endo -69.78 -38.22 8.04 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.506 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 35.5 m-85 -69.63 119.47 13.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -117.47 151.22 37.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' CYS . 18.2 t -82.04 117.68 69.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 0.51 5.51 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.709 2.273 . . . . 0.0 112.368 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -111.46 -34.94 5.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.483 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.1 p -136.05 -176.04 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.1 m -89.53 39.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 52.0 t80 -93.5 153.86 18.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.32 148.78 23.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -150.02 161.83 41.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.55 -32.06 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.4 mt -91.6 147.76 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.32 -47.64 33.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.76 -39.82 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.423 ' O ' HG13 ' A' ' 27' ' ' VAL . 3.6 m120 -52.8 -48.23 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -54.7 -34.77 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -67.98 -46.64 70.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -69.68 -31.81 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.628 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 54.4 t60 -68.7 -52.59 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.33 -25.53 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -52.07 -43.47 63.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -55.67 -18.59 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 22.7 m-85 -91.6 95.97 10.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.29 149.26 48.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.74 137.43 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -85.02 20.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -128.94 -34.44 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.0 p -143.21 -175.71 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.2 t -83.96 37.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -89.8 157.26 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 p -150.76 152.63 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.4 t -151.94 155.21 37.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' N ' HD21 ' A' ' 47' ' ' LEU . 4.2 mm? -96.39 38.35 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -164.99 131.04 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 9.0 mtpt -63.45 -56.78 13.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.18 -47.38 55.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.55 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -57.74 -49.49 76.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.7 tp -45.63 -44.06 12.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.2 -52.39 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.845 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.473 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 83.3 t -49.73 -44.78 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -51.54 -39.19 57.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.3 mt -79.0 -27.19 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.96 -9.96 58.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 5.8 ptm180 -114.16 -37.88 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.407 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 91.5 t -89.73 -64.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -93.17 43.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.416 ' CB ' HD21 ' A' ' 80' ' ' LEU . 13.7 mm100 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.819 0.342 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 14.2 p-80 -112.3 117.83 33.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.0 t -47.85 157.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.505 ' HD3' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -103.13 -18.95 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.505 ' CD1' ' HD3' ' A' ' 68' ' ' ARG . 6.5 m-85 -87.51 -58.68 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 71' ' ' LYS . 29.6 p -99.68 16.92 21.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 70' ' ' CYS . 51.2 mmtt 33.95 39.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -103.58 121.14 42.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 0.0 OUTLIER -88.36 144.17 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.501 ' CD1' HD11 ' A' ' 80' ' ' LEU . 10.2 m-85 -120.86 135.03 55.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' TYR . 14.1 t -36.46 -53.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -123.21 151.25 42.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' LYS . 7.9 p -63.57 -47.16 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' VAL . 9.8 mmmt -36.8 -55.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -60.29 -52.59 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 74' ' ' TYR . 57.6 tp -46.26 -44.38 16.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.5 mm -48.98 -55.26 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -61.53 -44.95 96.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -48.64 -41.03 29.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 88' ' ' HIS . 88.7 mt -70.8 -48.6 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -64.89 -20.12 66.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.69 -66.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.57 -53.07 47.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' ILE . 62.9 m-70 -100.97 39.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 69.1 mttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.76 -34.35 14.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.385 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 56.3 m-85 -73.48 117.9 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -113.19 147.49 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 15' ' ' CYS . 22.5 t -81.57 121.37 79.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.722 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -2.96 11.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -108.3 -36.72 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.9 p -138.17 -175.17 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -88.88 36.35 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.762 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 23.8 t80 -87.24 147.86 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.09 156.06 43.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 t -157.4 142.29 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.9 25.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -147.55 140.54 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.453 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 19.6 tptm -64.86 -54.2 34.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.71 -40.42 40.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -53.74 -64.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.5 tp -41.12 -37.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 51.8 m-80 -66.34 -53.11 40.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -61.79 -37.11 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.762 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 55.2 t60 -65.86 -35.9 81.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 mt -68.79 -30.36 68.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -53.03 -32.49 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -71.23 -33.04 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 14.7 mmtt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.589 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 12.0 m-85 -88.9 106.56 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.76 136.77 35.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.18 131.16 47.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.08 14.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 18.6 m-85 -124.24 -29.71 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 44' ' ' PHE . 16.8 p -145.58 -175.22 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.5 m -84.67 28.52 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.446 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 29.8 t80 -79.78 151.72 30.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.0 p -143.59 154.05 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.35 173.55 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD2' ' HE2' ' A' ' 36' ' ' LYS . 90.2 mt -113.58 34.49 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -167.3 124.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.589 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -61.03 -53.6 55.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.52 -44.52 22.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -65.62 -50.53 64.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.3 tp -42.25 -46.35 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' HD3' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -51.87 -50.81 60.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.506 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 59.2 t -51.58 -55.56 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.481 ' CE1' HG11 ' A' ' 59' ' ' VAL . 37.7 t60 -38.28 -47.65 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.532 ' CG2' ' HB2' ' A' ' 60' ' ' HIS . 59.7 mt -69.54 -42.32 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.6 -8.51 54.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 -112.82 -29.79 7.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.591 ' CG1' ' N ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -113.33 -48.61 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.591 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 99.6 m-70 -97.03 42.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.451 ' CB ' HD23 ' A' ' 80' ' ' LEU . 2.6 mm-40 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 36.1 p-80 -131.86 112.73 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.8 t -46.76 158.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -107.47 -10.15 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 88.1 m-85 -93.57 -44.11 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' LYS . 25.1 p -122.06 20.04 10.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' CYS . 7.2 mptt 35.59 44.43 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -99.99 127.27 46.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 65' ' ' GLN . 28.0 mttp -83.25 142.9 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 26.7 m-85 -126.74 119.33 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 74' ' ' TYR . 13.3 p -37.07 -46.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.4 122.79 28.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 78' ' ' LYS . 7.8 p -42.26 -45.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.3 mmmm -33.29 -50.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -66.71 -49.2 66.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 74' ' ' TYR . 50.2 tp -46.29 -43.99 16.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.0 mm -52.96 -55.78 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -63.28 -46.36 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.488 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 5.8 t60 -45.19 -47.89 12.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' HIS . 75.2 mt -65.23 -40.15 87.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 11.1 mmm180 -63.37 -25.83 68.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -95.71 -66.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.44 65.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 84' ' ' ILE . 23.2 m-70 -106.94 41.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 26.2 mttm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.74 -37.43 9.23 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.354 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 57.8 m-85 -71.57 131.77 43.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.76 150.77 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.42 119.27 75.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 0.46 5.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.48 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 27.0 mt-30 -112.15 -35.63 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.9 p -135.63 -174.7 3.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m -89.74 36.42 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.755 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 60.2 t80 -89.07 155.85 19.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.4 138.34 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 p -130.65 158.61 39.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.26 -37.02 13.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.3 mp -94.07 139.4 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -56.79 -37.56 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.78 -38.96 80.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -50.01 -54.69 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 tp -47.75 -41.57 23.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.44 -51.67 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.501 ' C ' ' HG2' ' A' ' 30' ' ' ARG . 2.2 p -61.15 -21.84 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.755 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 35.4 t60 -86.05 -23.37 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' HIS . 13.1 mt -83.51 -23.53 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' HG2' ' C ' ' A' ' 27' ' ' VAL . 7.9 mmm180 -42.02 -52.81 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -23.08 66.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.48 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 32.3 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 mttm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.586 ' CE1' ' HD3' ' A' ' 49' ' ' LYS . 2.5 m-85 -86.81 87.47 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.0 138.17 57.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.14 135.61 57.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -82.31 15.63 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 1.9 m-85 -126.55 -37.63 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -137.64 -176.66 4.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.8 m -83.72 36.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' THR . 21.6 t80 -86.23 158.29 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.426 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.1 p -151.44 152.35 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.2 t -151.96 171.63 17.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -114.26 34.68 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.9 t -159.66 126.71 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.586 ' HD3' ' CE1' ' A' ' 37' ' ' PHE . 15.3 mmtp -57.96 -65.36 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.62 -49.3 7.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -55.07 -51.98 64.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.1 tp -45.23 -46.11 12.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -57.92 -44.39 86.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.36 -42.43 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -49.2 -42.71 41.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.1 mt -76.05 -42.21 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.83 -13.45 61.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' CG ' HG21 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -110.6 -33.8 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.46 HG21 ' CG ' ' A' ' 58' ' ' ARG . 85.5 t -98.2 -61.25 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -99.3 56.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.457 ' CB ' HD23 ' A' ' 80' ' ' LEU . 24.4 mt-30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 66' ' ' HIS . 7.0 p-80 -98.29 129.24 45.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.71 125.67 25.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.491 ' CZ ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 ppt_? -81.57 20.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CZ ' ' CZ ' ' A' ' 68' ' ' ARG . 98.4 m-85 -123.41 -48.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 71' ' ' LYS . 28.6 p -123.35 24.86 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 70' ' ' CYS . 7.5 mmpt? 37.27 54.33 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -115.26 119.76 37.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -76.41 148.53 37.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -136.7 116.77 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -39.63 -45.18 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.18 136.57 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.3 p -63.68 -42.88 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.464 ' N ' HG13 ' A' ' 77' ' ' VAL . 32.2 mtmt -38.89 -53.23 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.02 -50.88 68.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD23 ' CB ' ' A' ' 65' ' ' GLN . 57.8 tp -44.7 -42.39 7.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.5 mm -55.98 -58.88 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -59.17 -46.47 88.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -44.77 -44.55 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.3 mt -67.63 -50.99 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -63.1 -19.05 64.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.91 -65.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.2 -50.91 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -93.99 36.34 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.592 0.71 . . . . 0.0 110.863 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -43.97 -51.32 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -63.88 96.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.789 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.63 -84.68 1.58 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -106.71 83.22 1.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.935 0.398 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -81.6 162.09 23.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.89 159.36 31.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 50.2 mttt 55.45 48.98 4.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 53.4 Cg_endo -69.83 -32.06 19.01 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.296 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.486 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 46.3 m-85 -74.89 117.68 17.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -109.51 152.82 24.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 15' ' ' CYS . 44.1 t -90.67 119.65 68.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 1.54 4.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.304 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -109.34 -33.25 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 1.8 p -144.87 -175.0 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -87.51 35.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 48.3 t80 -85.88 157.4 20.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -154.33 157.35 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -158.07 166.18 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -101.09 23.17 11.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 20' ' ' ALA . 66.2 mt -152.93 134.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HD2' ' CZ ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -59.29 -53.63 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.67 -49.66 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.408 ' O ' HG12 ' A' ' 27' ' ' VAL . 20.5 m-20 -52.85 -49.89 64.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.0 tp -52.42 -35.88 53.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -67.83 -54.71 16.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -60.4 -34.8 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 59.9 t60 -65.58 -37.52 86.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.0 mt -66.31 -29.4 69.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -60.15 -34.8 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -63.8 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 49.1 m-70 -61.82 -32.41 72.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.4 p -43.54 160.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.01 -112.98 1.46 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 7.5 tt0 -91.05 112.16 23.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -120.76 106.93 12.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CZ ' ' HG2' ' A' ' 35' ' ' GLU . 66.0 m-85 -91.36 106.19 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.06 149.34 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.1 t -76.29 137.11 39.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.5 22.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -130.97 -35.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.6 p -141.97 -176.16 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.8 p -83.14 36.93 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -89.32 155.78 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 p -148.74 152.68 37.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 t -152.92 155.03 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.03 -31.14 22.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.8 t -98.96 112.84 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 25.8 ttmt -52.13 -46.57 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.64 -39.67 54.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -67.59 -49.84 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 28.7 tp -43.68 -46.05 7.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -55.11 -46.03 75.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.8 -41.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.469 ' CE1' HG22 ' A' ' 59' ' ' VAL . 16.4 t60 -51.06 -35.69 35.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.9 mt -79.55 -33.88 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -76.9 -9.62 58.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -114.15 -41.06 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.469 HG22 ' CE1' ' A' ' 55' ' ' HIS . 70.9 t -86.73 -64.9 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -89.81 35.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 139.87 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.5 mttp 64.62 55.19 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.1 tt -100.94 152.53 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -45.61 104.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -99.23 133.56 43.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -104.15 115.8 31.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.33 120.23 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -75.38 6.31 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -105.93 -52.1 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.4 p -118.97 25.16 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' CYS . 8.7 mmpt? 36.27 47.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -109.07 121.05 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 150.86 39.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -141.11 116.56 10.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.7 m -46.96 -48.52 21.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.404 ' HB2' ' ND2' ' A' ' 79' ' ' ASN . 22.6 m-20 -113.84 110.73 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.3 p -44.73 -43.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -37.93 -48.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 76' ' ' ASP . 52.6 m-80 -64.98 -50.36 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.0 tp -43.49 -40.12 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.3 mm -60.08 -57.39 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -56.6 -39.86 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -53.5 -57.61 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 88' ' ' HIS . 89.8 mt -50.35 -42.74 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -71.53 -15.52 62.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -94.93 -64.73 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.78 -52.39 8.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.453 ' C ' ' O ' ' A' ' 84' ' ' ILE . 68.7 m-70 -87.49 37.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -70.28 112.78 13.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 167.26 25.04 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.335 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -80.42 -12.38 59.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -130.18 130.79 45.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 m -72.81 115.48 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.29 -59.33 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -134.45 113.35 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -65.9 116.71 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.16 -140.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 20.9 mtmm 56.24 54.12 8.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.518 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.2 Cg_endo -69.72 -39.77 6.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.392 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 60.8 m-85 -72.43 116.72 13.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -110.65 151.05 28.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 15' ' ' CYS . 48.2 t -82.19 121.19 78.54 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -1.63 8.8 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.741 2.294 . . . . 0.0 112.351 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -110.35 -35.52 6.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.464 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -137.15 -174.98 3.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -90.09 37.35 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.706 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 46.1 t80 -86.88 156.26 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.405 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -150.89 150.51 30.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -146.97 164.36 33.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.98 22.59 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -149.56 141.53 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 tppp? -62.69 -52.17 64.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.56 60.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' HG11 ' A' ' 27' ' ' VAL . 28.4 m-20 -55.12 -68.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' ASN . 23.1 tp -37.31 -41.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 34.8 m-80 -61.99 -50.35 72.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.422 HG11 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -64.83 -35.6 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.706 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 42.6 t60 -68.2 -28.55 67.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.7 mt -77.51 -21.57 52.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' O ' ' CG2' ' A' ' 33' ' ' THR . 76.1 mtp180 -54.54 -44.6 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -67.07 -18.62 65.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -84.42 20.73 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 30' ' ' ARG . 80.3 p -86.65 147.12 26.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.22 61.85 0.53 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' CG ' ' CE1' ' A' ' 37' ' ' PHE . 7.0 pt-20 -127.05 169.95 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -71.81 97.82 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.455 ' CE1' ' CG ' ' A' ' 35' ' ' GLU . 3.4 m-85 -89.64 108.05 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.52 152.69 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.7 t -72.99 137.13 45.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.54 21.29 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.432 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 1.6 m-85 -130.6 -34.73 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.29 -175.07 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -84.26 32.63 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 45' ' ' THR . 50.4 t80 -85.35 159.25 20.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 16.8 p -149.55 154.11 38.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.78 165.54 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.7 mt -110.29 33.15 4.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -172.62 104.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -36.67 -48.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.65 -53.88 9.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -60.56 -47.84 84.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.3 tp -48.2 -44.38 32.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -57.73 -45.88 85.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.14 -42.74 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -46.9 -41.24 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.475 ' CG2' ' HB2' ' A' ' 60' ' ' HIS . 29.0 mt -77.15 -39.13 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.49 -11.18 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' CG ' HG23 ' A' ' 59' ' ' VAL . 4.4 ptm85 -115.22 -33.69 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' CG ' ' A' ' 58' ' ' ARG . 61.5 t -98.29 -61.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.475 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 77.2 m-70 -92.86 43.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -77.75 150.24 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt 63.77 55.05 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.9 tt -130.33 154.36 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -44.47 149.89 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.507 HE22 ' N ' ' A' ' 77' ' ' VAL . 20.4 mt-30 -140.82 122.56 15.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 49.4 p-80 -112.8 103.08 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 17.1 t -46.57 158.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -106.47 -14.9 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 94.8 m-85 -85.43 -52.08 6.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 71' ' ' LYS . 17.9 p -116.59 23.25 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' CYS . 26.3 mmmt 35.32 35.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' CYS . 26.8 mttm -90.29 140.64 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -88.27 144.67 26.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.469 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 12.5 m-85 -135.46 125.84 26.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 4.5 m -83.22 24.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' SER . 6.2 m-20 -170.4 141.46 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.507 ' N ' HE22 ' A' ' 65' ' ' GLN . 13.3 p -80.71 -43.43 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.424 ' N ' HG12 ' A' ' 77' ' ' VAL . 32.3 mmtm -46.57 -47.42 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -70.75 -44.81 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.4 tp -48.61 -37.32 17.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 77' ' ' VAL . 43.4 mm -61.14 -56.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -59.68 -48.05 83.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.469 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 6.2 t60 -43.56 -46.02 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.508 ' O ' ' C ' ' A' ' 88' ' ' HIS . 48.0 mt -71.25 -46.71 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -13.45 58.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -97.26 -52.45 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.01 -53.62 3.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.508 ' C ' ' O ' ' A' ' 84' ' ' ILE . 29.6 m-70 -90.62 50.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.6 128.0 65.67 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 134.32 27.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -94.71 97.77 10.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -83.03 42.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 m -92.68 166.6 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.21 78.78 1.34 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -119.55 96.56 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -51.66 109.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.55 -140.5 5.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 41.5 mttm 43.36 53.44 9.62 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.78 -38.0 8.36 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 57.6 m-85 -69.14 128.59 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.05 151.3 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' CYS . 48.0 t -85.37 119.04 71.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.78 5.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -111.26 -33.29 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -140.59 -175.1 4.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -88.58 37.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.761 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 39.2 t80 -90.13 152.69 21.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.94 151.96 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.5 164.95 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.64 18.95 21.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.1 mt -147.33 133.68 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.505 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 19.2 tptt -54.42 -54.68 37.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -48.64 -45.41 38.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.434 ' O ' HG11 ' A' ' 27' ' ' VAL . 2.6 m120 -50.25 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' ASN . 22.4 tp -37.05 -43.9 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 43.1 m-80 -59.98 -51.08 71.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.434 HG11 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -63.19 -34.91 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.761 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 58.1 t60 -66.99 -40.13 87.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.97 -23.29 67.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -58.54 -27.29 64.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 33' ' ' THR . 48.2 mttt -76.41 -25.78 54.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -80.58 21.5 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.406 ' H ' ' C ' ' A' ' 31' ' ' LYS . 48.9 p -109.82 -22.29 11.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.77 -151.37 9.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 14.8 tp10 -82.57 138.4 34.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -119.77 99.71 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.6 ' CZ ' ' HD2' ' A' ' 49' ' ' LYS . 30.6 m-85 -89.19 95.43 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.67 155.69 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.3 t -77.9 138.7 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.66 19.05 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -127.25 -38.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -137.6 -175.28 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.1 t -85.21 34.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -87.51 153.48 21.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.4 p -145.91 156.91 43.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.2 t -153.78 164.45 38.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.66 -14.0 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -117.05 103.25 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.6 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -42.62 -37.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.94 -59.85 10.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -52.07 -45.9 64.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.6 tp -45.07 -43.99 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -58.98 -45.07 91.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.67 -38.91 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -51.09 -39.71 56.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.1 mt -77.83 -37.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.17 -9.04 58.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -114.34 -35.92 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.6 t -95.0 -64.32 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -88.21 40.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.3 tppt? -82.22 132.59 35.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt 70.64 56.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.9 tt -105.29 146.76 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -58.37 166.16 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -146.01 134.01 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -115.06 112.24 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -46.74 159.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.426 ' HD3' ' C ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -104.93 -23.61 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -81.47 -67.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 p -84.84 -13.33 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt 62.16 45.14 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -105.4 127.77 53.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -76.04 145.76 39.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.502 ' CD1' HD12 ' A' ' 80' ' ' LEU . 37.8 m-85 -134.58 127.43 31.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.1 p -48.41 -50.61 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -122.26 148.68 44.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.3 p -64.9 -38.38 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.475 ' N ' HG13 ' A' ' 77' ' ' VAL . 5.8 mtpm? -40.53 -64.28 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -51.88 -53.41 41.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.502 HD12 ' CD1' ' A' ' 74' ' ' TYR . 64.0 tp -42.51 -45.12 4.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.8 mm -47.85 -61.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -57.97 -48.3 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -43.35 -46.78 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 88' ' ' HIS . 68.1 mt -67.7 -37.67 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 8.0 mmm180 -69.09 -25.79 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -97.38 -66.05 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.37 -53.05 62.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 84' ' ' ILE . 72.1 m-70 -105.17 39.89 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 85' ' ' ARG . 4.3 p-10 -53.31 120.42 20.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 8.04 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.404 ' H ' ' C ' ' A' ' 89' ' ' ASP . 16.5 mm-40 58.29 36.87 25.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 92' ' ' ASP . 2.1 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.5 p -66.76 147.54 53.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -165.97 138.27 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.43 141.99 6.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 p -95.99 163.76 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 t -56.26 119.45 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' HB1' ' A' ' 20' ' ' ALA . . . -87.28 -142.49 7.54 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' HB3' ' N ' ' A' ' 19' ' ' SER . 22.3 mtmt -128.12 88.52 52.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.701 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -36.77 10.14 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.579 ' CE2' ' O ' ' A' ' 20' ' ' ALA . 2.4 m-30 -66.01 98.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.88 151.15 19.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' CYS . 53.1 t -84.82 123.26 74.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 0.45 5.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -110.22 -32.96 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 12' ' ' CYS . 6.3 p -144.56 -174.95 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -87.8 39.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 62.7 t80 -88.36 158.58 18.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -151.27 153.56 35.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.496 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -170.27 113.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.579 ' O ' ' CE2' ' A' ' 10' ' ' TYR . . . -55.28 -28.48 53.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.4 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 22.1 mt -77.0 123.1 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 7.6 tptt -58.39 -50.5 73.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.29 70.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.6 m120 -53.32 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.6 tp -38.81 -42.69 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 21.2 m-80 -61.01 -53.25 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -62.85 -36.5 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 48.8 t60 -64.61 -29.52 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.1 mt -78.23 -18.42 55.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 56.5 mtp180 -70.15 -35.89 74.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -67.75 -29.61 68.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -62.73 -34.95 78.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.2 p -59.44 176.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.06 -173.0 39.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 1.4 tp10 -79.41 139.36 37.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -119.95 100.68 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.546 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 10.9 m-85 -89.11 106.59 18.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.29 155.96 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -80.22 140.33 36.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -87.47 19.94 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.568 ' CD2' ' HB3' ' A' ' 60' ' ' HIS . 2.6 m-85 -127.74 -39.59 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -138.17 -174.58 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.5 m -83.25 32.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -84.16 152.92 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.2 p -146.91 153.01 39.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.02 143.46 22.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -76.89 -20.99 55.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m -112.9 102.46 10.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -44.28 -47.93 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.22 -50.72 9.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -63.66 -48.33 77.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.1 tp -41.86 -42.14 2.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.49 -50.0 73.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.497 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 94.3 t -54.58 -44.57 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -50.36 -36.48 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.2 mt -80.63 -36.32 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.71 -13.99 62.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' CG ' HG21 ' A' ' 59' ' ' VAL . 8.2 ptt85 -110.73 -38.62 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.409 HG21 ' CG ' ' A' ' 58' ' ' ARG . 64.7 t -90.28 -63.96 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.568 ' HB3' ' CD2' ' A' ' 41' ' ' TYR . 33.5 m-70 -97.3 50.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' CD ' ' HD2' ' A' ' 62' ' ' LYS . 0.6 OUTLIER -83.95 108.48 16.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.404 ' HD2' ' CD ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER 61.6 55.21 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.8 tt -101.87 152.69 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -107.81 122.04 45.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.456 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 33.1 mm-40 -82.46 87.72 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 66' ' ' HIS . 22.7 p-80 -88.79 119.88 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -56.56 121.12 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 3.77 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.29 -60.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' LYS . 22.0 p -110.57 24.47 12.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.6 OUTLIER 36.0 49.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -109.44 124.48 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -77.71 150.14 34.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -140.04 125.1 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 t -51.34 -61.02 2.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.63 128.87 54.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.4 p -54.8 -33.02 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.48 ' N ' HG13 ' A' ' 77' ' ' VAL . 26.8 mmmt -43.78 -54.51 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.02 -52.13 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 65' ' ' GLN . 55.5 tp -41.6 -42.7 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.4 -55.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -61.24 -47.93 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -47.47 -45.26 25.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.814 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.477 ' O ' ' C ' ' A' ' 88' ' ' HIS . 65.7 mt -65.9 -48.09 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.8 mtp85 -70.25 -11.42 60.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.43 -53.76 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.95 -52.6 3.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.477 ' C ' ' O ' ' A' ' 84' ' ' ILE . 70.7 m-70 -88.42 49.6 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.44 122.46 72.01 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.618 0.723 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 120.6 7.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -88.58 81.15 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -150.8 131.28 13.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.861 0.362 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -74.71 133.29 42.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.26 -144.71 16.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m 56.81 47.94 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.89 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -59.66 -75.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 20' ' ' ALA . . . 159.9 134.65 1.71 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' HB3' ' N ' ' A' ' 19' ' ' SER . 12.6 mtmt -118.9 81.39 19.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.569 0.699 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.73 -33.29 17.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.395 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.428 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 59.7 m-85 -71.97 105.74 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -94.03 149.99 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' CYS . 50.1 t -83.95 124.14 74.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 0.34 5.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -111.37 -30.94 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 9.7 p -148.21 -175.38 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -86.79 38.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.674 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 48.1 t80 -89.33 145.96 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -136.03 145.99 46.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.47 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -142.34 119.79 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 7' ' ' GLY . . . -55.83 -29.22 59.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.5 145.03 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 23.0 tttp -63.32 -53.74 47.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -42.32 -61.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' O ' HG12 ' A' ' 27' ' ' VAL . 8.0 t-20 -37.73 -60.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.5 tp -41.93 -41.72 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 12.9 m-80 -61.75 -48.62 79.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -67.0 -38.4 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.674 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.0 t60 -60.69 -31.42 70.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.6 mt -73.95 -21.2 60.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.3 -35.18 79.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -72.78 -13.22 61.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -88.49 23.49 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.8 p -111.19 -178.9 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 42.29 -136.01 3.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -124.69 153.81 41.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.21 97.44 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.497 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 9.5 m-85 -88.45 106.29 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.82 152.31 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.4 t -72.95 139.47 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -86.95 12.62 10.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.429 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 3.4 m-85 -121.51 -31.1 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.3 p -145.85 -177.22 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -83.52 36.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 45' ' ' THR . 29.7 t80 -87.43 157.77 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.41 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.0 p -152.24 154.13 35.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 t -152.3 160.06 43.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -100.23 30.92 3.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.4 t -157.99 109.06 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.497 ' HD3' ' CE2' ' A' ' 37' ' ' PHE . 3.5 ttpm? -48.8 -43.44 38.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.25 -49.71 75.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -58.95 -44.68 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.403 HD21 ' CB ' ' A' ' 37' ' ' PHE . 18.6 tp -45.32 -45.69 12.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -53.89 -50.81 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.49 -46.32 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.499 ' CE1' HG21 ' A' ' 59' ' ' VAL . 51.9 t60 -48.57 -42.49 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.2 mt -79.33 -26.03 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' C ' ' HB2' ' A' ' 61' ' ' LYS . 19.2 mt-10 -82.18 -9.06 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -119.72 -33.0 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.499 HG21 ' CE1' ' A' ' 55' ' ' HIS . 61.1 t -91.32 -65.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 23.5 m-70 -96.63 43.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' HB2' ' C ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -90.99 128.17 36.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 tttp 63.81 55.04 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 tt -88.18 151.16 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' GLN . 32.8 mttm -86.95 77.32 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 64' ' ' LYS . 1.2 tp60 -35.94 135.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -104.29 130.3 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.9 t -73.11 118.92 16.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.474 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.2 OUTLIER -73.1 4.36 4.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.547 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 63.5 m-85 -104.42 -46.6 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.5 p -128.33 30.29 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 32.2 47.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -101.76 127.55 48.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -81.43 138.57 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.531 ' CD1' HD11 ' A' ' 80' ' ' LEU . 24.0 m-85 -133.63 114.29 13.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' TYR . 2.9 m -37.51 -48.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.52 150.51 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -75.43 -41.76 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.31 -60.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -53.95 -50.58 66.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.531 HD11 ' CD1' ' A' ' 74' ' ' TYR . 57.3 tp -44.91 -45.81 10.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.0 mm -46.78 -58.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -59.25 -49.3 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -43.29 -37.22 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.508 ' O ' ' C ' ' A' ' 88' ' ' HIS . 24.8 mt -72.22 -41.52 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -72.12 -12.67 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -98.04 -45.43 6.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.88 -53.89 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 57.7 m-70 -95.43 51.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.38 124.04 87.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 101.5 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.616 2.21 . . . . 0.0 112.342 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -85.14 -11.55 54.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m -60.09 154.39 19.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.785 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -159.6 175.9 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.34 145.72 13.41 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -105.55 78.42 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -123.31 162.09 23.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.31 -179.03 2.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 49.5 mttm 55.91 54.76 9.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.74 -41.86 3.93 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 53.8 m-85 -68.32 120.34 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -112.1 150.47 30.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 15' ' ' CYS . 38.9 t -83.95 118.96 72.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.661 0.744 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -3.0 11.12 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -109.19 -37.7 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -134.64 -175.33 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.8 m -90.31 38.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.751 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 41.3 t80 -90.57 155.95 18.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -150.19 148.89 29.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.1 170.89 15.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.96 -32.76 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.111 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.7 mt -92.85 147.91 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -70.14 -50.71 37.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.03 -33.51 52.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' O ' HG13 ' A' ' 27' ' ' VAL . 18.3 m-20 -57.64 -64.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.8 tp -40.32 -36.52 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -66.26 -50.23 64.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -65.8 -34.99 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.751 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 52.9 t60 -64.87 -34.62 78.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.9 mt -70.26 -22.76 62.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -59.51 -24.38 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -78.7 -28.52 45.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.512 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 92.0 m-70 -82.28 22.41 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 ' CG2' ' O ' ' A' ' 47' ' ' LEU . 72.8 p -98.29 -174.64 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.81 31.91 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -159.48 145.17 15.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.39 . . . . 0.0 110.901 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 mmtt -110.77 99.4 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 49' ' ' LYS . 21.7 m-85 -96.56 95.1 7.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.84 143.8 54.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.9 138.35 58.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -85.26 18.07 2.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.1 m-85 -127.01 -32.35 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.51 -175.0 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 t -83.95 36.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 45' ' ' THR . 25.8 t80 -86.27 157.9 19.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.417 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 16.9 p -151.97 154.27 35.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.1 t -153.08 160.86 42.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' A' ' 47' ' ' LEU . 2.2 mm? -99.26 30.83 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.1 m -158.0 143.34 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.573 ' HG2' ' CE2' ' A' ' 37' ' ' PHE . 12.2 mttt -75.68 -49.17 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.65 -43.72 91.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -62.42 -50.36 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.7 tp -42.44 -44.53 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -59.03 -50.79 72.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.488 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 31.7 t -51.69 -42.8 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -51.16 -41.94 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mt -76.95 -22.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -86.07 -10.42 54.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 12.4 ptt85 -114.66 -37.72 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.415 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 69.5 t -88.43 -65.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -95.96 43.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.3 106.51 9.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? 75.06 57.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 9.2 tt -59.71 132.39 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -59.46 137.71 57.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -116.53 121.31 41.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -112.4 132.37 55.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.0 t -58.89 158.82 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.55 ' HD2' ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -105.8 -11.03 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.55 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 50.8 m-85 -88.9 -46.19 9.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.5 p -119.3 18.44 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? 40.64 42.37 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HG2' ' CE2' ' A' ' 74' ' ' TYR . 10.1 tptt -89.38 112.71 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -74.77 130.16 38.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.448 ' CE2' ' HG2' ' A' ' 72' ' ' LYS . 32.7 m-85 -128.58 116.78 20.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -51.58 -52.62 45.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -102.25 135.88 43.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.0 p -66.24 -40.69 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -42.85 -46.71 5.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -66.35 -52.27 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.9 tp -44.29 -44.14 7.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.1 mm -53.85 -53.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -63.31 -29.39 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -64.64 -44.11 91.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 88' ' ' HIS . 76.5 mt -67.87 -45.28 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -65.69 -20.56 66.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -97.03 -66.51 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.62 -52.37 61.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' ILE . 41.5 m-70 -106.48 39.14 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' A' ' 91' ' ' GLN . 1.5 p30 -45.78 126.34 6.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.621 0.724 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 13.47 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.475 ' H ' ' C ' ' A' ' 89' ' ' ASP . 8.9 mt-30 64.94 38.96 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -71.51 177.1 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -95.23 125.49 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.29 -133.97 1.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -91.44 45.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 p -157.17 161.43 39.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 20' ' ' ALA . . . -179.99 150.24 9.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HB3' ' N ' ' A' ' 19' ' ' SER . 11.7 mttm -126.43 91.21 48.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.559 0.695 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.1 Cg_endo -69.75 -37.26 9.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.408 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 49.0 m-85 -64.61 117.47 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -109.88 151.37 27.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 t -83.91 121.05 75.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.07 3.88 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.421 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 28.3 mt-30 -115.33 -34.77 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 3.2 p -139.77 -175.07 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 t -88.8 35.51 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.744 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 33.7 t80 -85.61 154.26 21.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.96 157.32 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.062 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.493 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -168.49 128.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 7' ' ' GLY . . . -74.23 42.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.452 HG13 ' C ' ' A' ' 20' ' ' ALA . 72.2 mt -155.31 128.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -59.88 -60.35 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.32 -38.63 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.415 ' O ' HG11 ' A' ' 27' ' ' VAL . 3.3 m120 -56.23 -66.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 tp -39.47 -38.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -65.06 -47.84 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.418 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -68.27 -38.48 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.744 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 49.6 t60 -64.55 -25.61 68.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.4 mt -82.49 -20.34 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -51.82 -44.34 63.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 20.0 pttt -67.8 -25.62 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.421 ' HB3' ' CD ' ' A' ' 14' ' ' GLN . 37.5 m-70 -75.53 -35.78 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.9 p -58.29 168.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.58 20.08 2.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -106.7 153.65 22.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -84.15 101.54 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.534 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 65.7 m-85 -93.96 109.18 20.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.48 151.53 25.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.6 t -78.43 136.0 37.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.88 22.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.447 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 1.7 m-85 -130.45 -35.42 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.0 p -140.79 -174.99 4.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 t -84.06 32.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -84.81 153.08 23.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.7 p -149.42 147.33 28.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -142.99 165.74 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 tp -96.65 -25.94 15.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.497 ' O ' ' C ' ' A' ' 49' ' ' LYS . 3.6 m -115.54 89.57 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.534 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -30.24 -40.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -43.42 -51.71 6.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -67.29 -45.1 77.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.2 tp -45.61 -41.22 9.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -58.55 -43.63 89.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.84 -35.67 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.53 -38.65 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 60' ' ' HIS . 22.9 mt -78.74 -36.07 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.33 -9.75 59.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -115.15 -32.78 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.4 t -98.48 -61.48 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . 81.6 m-70 -91.07 41.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -85.69 151.03 24.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? 61.11 54.96 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.3 tt -129.56 146.61 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.162 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.83 150.63 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -120.52 127.39 52.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -98.26 127.96 44.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 16.6 t -64.84 129.15 38.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -83.28 18.04 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.402 ' CE2' ' HD3' ' A' ' 68' ' ' ARG . 57.3 m-85 -119.62 -44.65 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 27.1 p -127.03 22.54 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.1 mptt 38.81 53.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -112.11 120.85 43.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -73.65 148.47 42.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -136.81 178.04 7.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.0 m -106.29 -50.91 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -105.43 106.8 17.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 81' ' ' ILE . 7.8 p -44.31 -34.22 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -57.44 -54.4 47.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.23 -32.68 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.81 -40.69 89.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 77' ' ' VAL . 35.7 mm -58.78 -50.8 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.1 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -48.92 -47.48 43.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' HIS . 22.1 mt -67.31 -35.41 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -71.28 -23.7 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -94.81 -61.61 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.81 -52.18 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 84' ' ' ILE . 55.8 m-70 -94.36 35.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.412 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 2.4 p-10 -63.32 112.17 6.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 109.12 2.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.363 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -108.19 82.88 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.6 t0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -82.94 118.79 23.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.806 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -132.29 132.51 43.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.39 127.36 2.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -128.83 119.35 24.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -149.96 118.37 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.76 -142.26 13.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 8.3 mtmp? 60.68 54.56 3.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.55 0.69 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.0 Cg_endo -69.75 -38.65 7.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 63.1 m-85 -70.7 133.03 46.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.06 149.66 48.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 15' ' ' CYS . 42.2 t -83.7 120.17 74.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -2.54 10.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.373 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -109.19 -35.62 6.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -136.54 -175.43 4.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -89.78 37.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.636 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 39.8 t80 -88.29 156.38 19.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -149.97 149.01 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -145.87 161.7 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.79 -28.25 16.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 22' ' ' LYS . 79.4 mt -98.9 143.57 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.443 ' N ' HG23 ' A' ' 21' ' ' ILE . 13.0 tptm -64.21 -50.47 67.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.74 -35.87 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' O ' HG13 ' A' ' 27' ' ' VAL . 9.8 m-20 -55.51 -60.9 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 tp -43.28 -37.03 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -66.99 -54.3 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -59.7 -33.53 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.636 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 56.8 t60 -65.87 -50.6 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.2 mt -54.58 -29.39 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -55.5 -17.06 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.551 ' CB ' ' NZ ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -82.0 -20.94 37.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -88.12 21.84 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.6 p -100.34 175.74 5.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.32 -175.14 7.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.97 113.58 7.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -144.93 110.88 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 78.0 m-85 -104.19 98.96 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.68 149.4 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.1 t -77.54 136.47 38.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.52 21.79 2.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.434 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 1.6 m-85 -129.52 -32.92 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.984 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.1 p -144.15 -175.0 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.2 m -83.41 30.86 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -82.26 155.37 24.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.1 p -150.29 153.69 36.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.61 170.09 21.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.65 -27.95 12.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 49' ' ' LYS . 2.1 t -107.37 86.68 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.547 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -31.51 -38.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -49.14 -50.29 28.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.553 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -64.28 -43.37 94.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.1 tp -44.82 -44.63 9.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -54.09 -44.39 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.41 -38.65 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -54.23 -38.72 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.7 mt -79.36 -26.63 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 4.8 mm-40 -87.6 -9.57 53.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -113.49 -39.81 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -90.99 -64.05 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -88.26 38.61 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.83 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -78.88 120.73 23.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.2 tttm 75.0 57.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.1 tp -83.35 134.32 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' GLN . 16.3 pttp -100.09 49.1 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.454 ' CG ' HD23 ' A' ' 80' ' ' LEU . 2.9 tp-100 -36.8 139.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -117.61 117.53 29.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.6 t -47.0 126.34 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.52 12.64 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -115.86 -41.16 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.7 p -132.14 26.24 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' CYS . 26.2 mttm 35.06 54.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -101.67 122.28 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -77.82 133.57 38.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -128.48 133.18 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 t -61.02 -48.35 82.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -118.97 112.89 20.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 78' ' ' LYS . 7.4 p -39.71 -46.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.464 ' HG3' ' ND2' ' A' ' 79' ' ' ASN . 7.2 ptmt -35.78 -44.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.464 ' ND2' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m120 -67.41 -48.26 67.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.454 HD23 ' CG ' ' A' ' 65' ' ' GLN . 49.6 tp -47.38 -41.43 19.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.3 mm -54.67 -57.01 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -60.64 -46.94 88.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -47.72 -47.69 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' HIS . 96.9 mt -62.71 -51.17 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -60.51 -21.89 62.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -88.7 -66.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.64 -52.1 23.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 84' ' ' ILE . 29.8 m-70 -101.73 42.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -45.99 129.98 7.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -179.53 3.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 62.24 42.3 9.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 m -74.0 -49.31 24.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -68.23 164.85 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.41 178.67 16.13 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -167.89 158.94 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.92 0.391 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 t -57.98 -58.46 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.47 133.27 2.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' HA ' ' C ' ' A' ' 19' ' ' SER . 30.3 mttp 61.09 54.72 3.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.611 0.719 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 54.2 Cg_endo -69.68 -28.23 25.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.446 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 2.3 m-30 -68.5 100.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -92.23 148.17 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -84.21 119.86 73.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.74 5.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.234 . . . . 0.0 112.338 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.413 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 24.1 mt-30 -113.05 -37.42 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.522 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -135.59 -173.76 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -90.2 37.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 55.1 t80 -90.11 147.75 23.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.31 149.4 49.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.449 ' C ' ' HA ' ' A' ' 8' ' ' LYS . 1.7 t -154.4 171.23 19.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.17 25.03 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 69.0 mt -149.3 115.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.526 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 11.3 tttt -42.71 -52.04 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.14 -43.83 52.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.413 ' O ' HG11 ' A' ' 27' ' ' VAL . 2.9 m-80 -59.64 -61.11 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.2 tp -44.03 -34.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 69.0 m-80 -67.87 -55.53 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -59.98 -32.54 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.602 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.7 t60 -71.25 -32.54 68.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.9 mt -74.98 -29.18 60.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' O ' ' CG2' ' A' ' 33' ' ' THR . 32.5 mtm180 -45.24 -50.42 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -62.06 -29.97 70.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 55.9 m-70 -73.96 -18.48 60.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 30' ' ' ARG . 44.4 p -48.69 175.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 131.81 153.53 7.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 2.2 tp10 -33.52 118.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -123.29 107.77 12.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 35' ' ' GLU . 78.9 m-85 -95.29 105.84 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.98 147.35 28.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.1 138.36 43.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -86.5 21.91 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 1.7 m-85 -130.44 -32.41 1.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -145.04 -175.09 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.3 t -84.1 36.58 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 45' ' ' THR . 47.7 t80 -88.82 159.15 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.0 p -150.79 155.33 39.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.92 143.64 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.3 mt -77.19 -27.63 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 50' ' ' GLY . 94.6 p -109.94 88.07 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -31.75 -37.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -51.14 -50.31 40.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -66.7 -38.96 87.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 18.3 tp -49.58 -32.73 13.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -66.06 -40.79 91.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.72 -36.03 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -54.13 -38.79 65.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 33.6 mt -77.09 -29.77 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -82.19 -10.08 59.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -113.33 -34.56 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.5 t -95.18 -62.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -93.91 45.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 122.39 32.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? 74.44 57.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.8 tt -119.0 153.86 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.32 93.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.415 ' CD ' ' HB ' ' A' ' 77' ' ' VAL . 2.1 mp0 -62.24 118.22 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -125.57 111.53 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.4 t -47.07 158.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HD3' ' C ' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -105.95 -19.19 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.479 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 79.5 m-85 -84.38 -53.33 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.9 p -107.27 18.0 22.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' CYS . 20.5 mmmt 35.63 38.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -86.5 176.7 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 7.7 tttt -119.54 145.1 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 31.7 m-85 -146.83 119.94 8.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.6 m -56.62 -53.85 52.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -99.71 132.01 45.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 78' ' ' LYS . 10.2 p -68.2 -38.67 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' N ' HG12 ' A' ' 77' ' ' VAL . 40.7 mttt -43.87 -50.6 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -63.02 -52.61 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.3 tp -42.56 -44.71 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.2 mm -52.26 -53.85 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -62.16 -48.75 78.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -44.39 -47.08 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.518 ' O ' ' C ' ' A' ' 88' ' ' HIS . 62.4 mt -63.14 -40.45 89.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -72.54 -12.29 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -96.86 -50.63 4.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.64 -53.57 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.518 ' C ' ' O ' ' A' ' 84' ' ' ILE . 47.7 m-70 -89.14 49.25 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.32 124.4 71.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.618 0.723 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 174.95 8.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -105.43 79.23 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 m -133.2 150.17 51.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -56.91 138.24 54.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.819 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.83 155.0 36.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 p -80.52 105.19 11.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.3 p -129.85 110.16 11.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.91 -116.5 4.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 28.2 mttt 63.32 52.95 1.6 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.699 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.83 -36.48 10.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.553 ' CE2' ' HB3' ' A' ' 22' ' ' LYS . 41.8 m-85 -70.64 117.53 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -110.69 151.78 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -82.65 121.21 77.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -111.01 -34.57 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 3.1 p -138.41 -174.99 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -89.01 35.41 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.735 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 58.1 t80 -86.57 146.5 26.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.54 137.14 36.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -131.07 143.06 50.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.57 -25.4 61.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.2 mt -110.06 152.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.553 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -69.25 -45.05 70.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' ASN . . . -53.75 -54.32 39.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.429 ' O ' HG11 ' A' ' 27' ' ' VAL . 6.0 t-20 -42.17 -46.75 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.76 -35.47 66.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.1 m-80 -66.96 -47.17 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -68.91 -34.11 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.735 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 37.2 t60 -67.43 -25.66 66.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.2 mt -81.1 -27.57 35.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.0 mtt85 -47.73 -45.25 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 18.2 pttt -65.38 -34.91 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' THR . 38.8 m-70 -65.66 -30.06 70.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 32' ' ' HIS . 61.2 p -36.24 -40.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' N ' ' HG1' ' A' ' 33' ' ' THR . . . -81.66 111.51 3.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -83.92 140.93 31.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.94 0.4 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -105.98 99.66 9.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.507 ' CE2' ' HE2' ' A' ' 49' ' ' LYS . 1.9 m-85 -86.25 102.95 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.08 157.24 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -77.23 134.95 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -83.45 15.92 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.558 ' CE1' HG22 ' A' ' 56' ' ' ILE . 6.7 m-85 -124.16 -36.15 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -140.46 -175.29 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m -84.79 36.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -88.72 156.46 18.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.3 p -151.02 153.95 36.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.8 t -148.88 160.53 43.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 47' ' ' LEU . 4.2 mm? -101.08 33.64 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -165.13 105.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' HE2' ' CE2' ' A' ' 37' ' ' PHE . 7.5 ptpt -43.03 -47.73 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.85 -51.85 37.6 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -59.53 -46.95 87.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.4 tp -44.49 -44.84 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -55.81 -46.62 78.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.17 -41.68 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -51.46 -46.2 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.558 HG22 ' CE1' ' A' ' 41' ' ' TYR . 28.4 mt -75.38 -37.61 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -70.43 -12.06 61.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -113.49 -32.11 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.5 t -98.38 -60.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 30.3 m-70 -101.91 56.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.23 113.54 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 mttm 63.12 55.3 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.7 tt -105.52 139.25 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -123.04 93.44 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.701 HE22 ' N ' ' A' ' 77' ' ' VAL . 7.7 mt-30 -68.89 77.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 66' ' ' HIS . 13.6 p-80 -89.88 122.24 32.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 6.5 t -46.77 160.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 6.3 ttt180 -96.73 -9.25 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 2.1 m-85 -105.27 -62.11 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 72' ' ' LYS . 21.4 p -102.42 23.1 12.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.56 38.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.9 ttmm -80.93 129.51 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -71.07 139.52 50.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.475 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 17.9 m-85 -132.91 164.35 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -105.33 -50.13 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -108.59 121.26 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.701 ' N ' HE22 ' A' ' 65' ' ' GLN . 11.2 p -49.68 -49.48 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' VAL . 1.6 mmmp? -36.49 -56.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -59.93 -51.93 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 tp -42.31 -40.02 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.2 mm -63.4 -58.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 25.8 ttmt -56.34 -39.49 72.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.475 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 8.4 t60 -49.09 -54.21 17.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 23.9 mt -55.56 -42.13 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 89' ' ' ASP . 25.6 mtm180 -77.41 -9.37 58.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 82' ' ' LYS . 54.3 m-20 -96.77 -40.54 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.2 -52.84 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.422 ' NE2' ' HB2' ' A' ' 69' ' ' PHE . 37.1 m-70 -89.33 48.64 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 85' ' ' ARG . 13.9 t70 -90.15 116.6 66.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.607 0.717 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 92.84 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.661 2.241 . . . . 0.0 112.32 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -116.29 112.56 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -137.97 158.73 43.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.937 0.399 . . . . 0.0 110.8 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -92.29 145.54 24.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.66 106.37 0.57 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -69.46 136.33 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.826 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -112.78 130.06 56.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' O ' ' CD ' ' A' ' 9' ' ' PRO . . . 166.66 155.76 9.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -105.56 73.37 0.26 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 7' ' ' GLY . 53.4 Cg_endo -69.76 -34.7 14.05 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 44.2 m-85 -67.09 120.55 13.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -111.41 151.35 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 15' ' ' CYS . 52.6 t -85.99 122.06 72.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 1.05 4.81 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.514 ' HB2' ' CD2' ' A' ' 32' ' ' HIS . 12.3 mt-30 -112.3 -31.02 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.485 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.7 p -146.79 -175.01 4.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -87.41 35.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.749 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 19.2 t80 -89.16 153.89 20.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.9 158.26 39.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -157.54 132.21 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 7' ' ' GLY . . . -55.46 -22.5 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 mp -101.13 147.94 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -74.03 -42.58 60.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.73 -50.61 69.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -45.6 -40.11 8.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -62.83 -35.89 81.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -69.08 -45.29 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -70.59 -40.21 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.749 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 52.4 t60 -59.49 -34.65 72.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.6 mt -68.2 -28.25 67.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 34' ' ' GLY . 95.9 mtt-85 -54.45 -39.5 67.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -60.41 -36.94 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.514 ' CD2' ' HB2' ' A' ' 14' ' ' GLN . 55.4 m-70 -66.0 -19.55 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.15 -70.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' ARG . . . -104.83 119.2 6.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 36' ' ' LYS . 28.1 tp10 -66.43 158.78 28.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.466 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 1.3 mmpt? -119.62 94.61 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -87.85 91.46 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.96 150.46 40.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.4 t -78.62 138.35 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -86.85 18.45 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.6 m-85 -127.44 -34.67 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.2 p -141.66 -174.96 4.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -83.46 32.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -82.81 155.53 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.4 p -152.34 154.95 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 t -153.95 178.65 9.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.17 28.7 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -166.1 106.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -44.34 -50.26 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.22 -46.92 8.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -69.89 -46.39 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.3 tp -48.66 -40.51 28.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -47.84 83.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.1 t -58.45 -40.63 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -51.73 -38.67 56.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.9 mt -79.22 -34.16 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.59 -11.44 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' CG ' HG23 ' A' ' 59' ' ' VAL . 12.5 ptt85 -112.0 -38.62 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.41 HG23 ' CG ' ' A' ' 58' ' ' ARG . 90.5 t -92.06 -62.89 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -93.5 42.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.58 125.22 29.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt 62.26 54.99 2.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.0 tt -89.31 155.1 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 69.63 6.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.491 ' CG ' HD23 ' A' ' 80' ' ' LEU . 3.3 tp60 -54.31 111.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 17.4 p-80 -109.48 120.92 43.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 t -50.82 127.29 18.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.567 ' HD3' ' CZ ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -82.78 21.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.567 ' CZ ' ' HD3' ' A' ' 68' ' ' ARG . 24.7 m-85 -121.12 -54.94 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.68 12.17 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp 46.65 49.96 13.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -112.27 117.83 33.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 14.6 ptmt -90.05 136.81 32.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.4 ' HB3' ' OD1' ' A' ' 79' ' ' ASN . 12.0 m-85 -118.54 154.8 31.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -70.46 -52.49 21.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' LYS . 66.3 m-20 -116.68 106.43 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 76' ' ' ASP . 14.4 p -33.41 -32.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 76' ' ' ASP . 25.7 mtmm -43.44 -55.98 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 80' ' ' LEU . 7.3 p30 -62.07 -48.24 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 65' ' ' GLN . 51.6 tp -45.24 -39.42 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 31.3 mm -56.42 -50.92 70.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -64.67 -43.54 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -50.33 -39.24 45.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.478 ' O ' ' C ' ' A' ' 88' ' ' HIS . 80.6 mt -70.2 -49.62 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -69.78 -11.85 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.84 -37.76 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.48 -52.62 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.478 ' C ' ' O ' ' A' ' 84' ' ' ILE . 37.7 m-70 -99.75 54.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -81.53 119.72 76.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 179.48 3.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.658 2.239 . . . . 0.0 112.397 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -79.25 45.3 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' GLN . 31.2 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -128.05 151.51 49.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -106.4 140.51 39.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.27 79.51 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -110.93 134.92 52.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.926 0.393 . . . . 0.0 110.804 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 t -140.87 171.57 13.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 20' ' ' ALA . . . -176.89 -87.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HB3' ' N ' ' A' ' 19' ' ' SER . 15.3 mtmm -118.03 85.3 23.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -28.53 24.91 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.526 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 2.1 m-30 -70.32 101.95 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -93.07 144.61 25.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -83.76 121.82 76.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 1.28 4.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -111.9 -33.45 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 2.4 p -146.2 -175.01 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -86.74 35.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 45.9 t80 -85.56 153.41 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -147.77 151.99 36.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -170.34 118.16 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.441 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -72.46 48.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.441 HG13 ' C ' ' A' ' 20' ' ' ALA . 78.2 mt -155.45 115.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.518 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 13.5 tppt? -46.53 -60.78 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.74 -47.96 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.0 m120 -52.27 -67.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 tp -39.02 -40.73 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 66.1 m-80 -64.13 -54.57 31.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -61.06 -36.86 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.732 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 59.6 t60 -65.89 -30.9 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.6 mt -75.11 -25.99 58.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -65.94 -40.57 91.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -62.44 -27.44 69.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -65.13 -33.91 77.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.4 p -44.78 158.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.65 -145.37 17.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' HG3' ' CE2' ' A' ' 37' ' ' PHE . 3.9 pt-20 -83.71 129.41 34.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -130.87 102.24 5.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.604 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 24.3 m-85 -89.75 92.68 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.9 150.28 44.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -69.37 135.99 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.94 18.45 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.2 m-85 -127.2 -34.48 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -141.07 -177.11 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.9 t -84.71 36.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' CG ' ' N ' ' A' ' 45' ' ' THR . 16.1 t80 -90.67 157.5 17.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.422 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 19.6 p -148.49 156.55 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.8 t -150.92 153.37 35.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 47' ' ' LEU . 3.5 mm? -96.49 36.59 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.67 107.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.604 ' HD3' ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -39.17 -50.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.16 -59.69 8.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -48.54 -48.44 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.4 tp -47.32 -44.71 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -57.16 -49.48 75.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.7 t -53.98 -43.57 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -50.83 -41.46 57.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.9 mt -77.92 -36.46 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.34 -9.32 58.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -117.31 -32.97 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 63.9 t -95.8 -63.22 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -93.55 42.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -81.01 141.04 34.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? 62.0 55.25 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.7 tt -101.07 140.96 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -84.71 79.81 9.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.483 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 1.8 tt0 -59.32 109.58 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.407 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 15.9 p-80 -99.32 115.41 29.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 t -49.11 120.1 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 12.43 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.407 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 40.6 m-85 -110.64 -48.98 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -121.13 23.89 10.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt 38.89 49.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 66' ' ' HIS . 13.8 ttmt -99.8 173.57 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -121.84 126.72 49.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.512 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 9.4 m-85 -127.26 -28.98 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 8.3 t 52.52 25.01 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.504 ' CG ' ' O ' ' A' ' 75' ' ' SER . 17.1 m-20 -164.3 105.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.434 ' O ' HG12 ' A' ' 81' ' ' ILE . 6.6 p -48.84 -55.09 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 77' ' ' VAL . 29.5 mttm -35.35 -60.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.99 -50.09 72.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 51.0 tp -46.28 -36.31 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 77' ' ' VAL . 47.0 mm -59.92 -63.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -50.07 -42.2 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.512 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 24.3 t60 -57.1 -60.16 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' HIS . 89.5 mt -52.92 -44.7 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -68.13 -16.07 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.81 -66.66 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.89 -52.22 13.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 84' ' ' ILE . 47.5 m-70 -91.84 34.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -56.67 111.23 3.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 91' ' ' GLN . 53.5 Cg_endo -69.76 97.22 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 90' ' ' PRO . 9.6 mm100 33.18 44.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 m -96.74 123.0 40.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -144.66 113.01 6.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.59 60.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -77.08 136.0 38.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -150.05 163.06 39.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.88 -123.46 1.91 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' HA ' ' C ' ' A' ' 19' ' ' SER . 8.8 mtpm? 55.67 54.97 9.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.553 0.692 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 54.1 Cg_endo -69.74 -31.64 20.24 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.45 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 3.0 m-30 -57.59 99.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 33.1 mmtp -92.79 151.53 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 41.7 t -89.09 120.35 69.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 2.37 3.61 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -112.28 -33.6 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 p -142.29 -174.34 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -86.59 34.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.75 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 66.5 t80 -85.55 151.01 24.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -138.09 155.51 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.443 ' C ' ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -160.07 173.6 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.92 -27.21 7.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.65 134.99 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.511 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -55.77 -44.01 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.13 -49.96 65.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.069 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.415 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.1 t-20 -50.17 -60.21 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.5 tp -46.79 -44.62 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 71.1 m-80 -60.75 -53.2 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -64.1 -31.22 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.75 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.7 t60 -69.21 -35.28 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 mt -72.88 -20.46 61.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -59.07 -43.09 91.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -65.81 -19.36 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -84.76 24.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.1 p -91.6 146.9 23.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.03 -165.77 22.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.415 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 5.7 tp10 -49.19 121.13 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.967 0.413 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -115.78 105.16 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' CZ ' ' HG2' ' A' ' 35' ' ' GLU . 38.6 m-85 -90.66 109.12 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.22 155.92 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -82.39 138.15 34.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.3 23.08 1.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -130.55 -36.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 p -142.49 -175.02 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 t -82.6 36.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -87.87 152.04 22.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 p -147.18 152.99 39.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -152.64 156.65 39.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.2 mt -90.45 -27.47 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -100.28 100.68 11.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.552 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 6.6 ptpt -39.17 -48.82 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -53.95 -44.1 71.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -61.28 -39.64 91.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.333 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.3 tp -54.61 -45.26 73.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.562 ' HG2' ' N ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -56.25 -36.88 69.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.562 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 84.3 t -66.81 -44.3 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.407 ' ND1' HG21 ' A' ' 59' ' ' VAL . 28.2 t60 -52.06 -39.56 59.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.9 mt -79.01 -32.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -79.88 -10.56 59.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.437 ' CG ' HG23 ' A' ' 59' ' ' VAL . 6.1 ptm180 -112.67 -39.16 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG23 ' CG ' ' A' ' 58' ' ' ARG . 62.7 t -88.14 -67.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -88.3 39.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.459 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -80.46 122.53 27.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 mttm 63.81 55.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.9 tt -90.76 141.43 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -89.47 105.5 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -60.75 113.89 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -106.54 111.03 23.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.03 113.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -69.47 -2.69 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.46 ' CE2' ' HD3' ' A' ' 68' ' ' ARG . 75.7 m-85 -93.97 -64.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.0 p -104.63 25.66 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 36.25 45.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 12.4 ttmm -94.1 146.07 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -93.33 127.73 39.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 72' ' ' LYS . 27.2 m-85 -129.17 134.09 47.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 m -76.73 -50.14 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.422 ' HB2' ' ND2' ' A' ' 79' ' ' ASN . 1.6 m-20 -106.95 133.11 52.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 78' ' ' LYS . 7.3 p -66.25 -41.92 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.483 ' N ' HG12 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -42.44 -47.39 4.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 76' ' ' ASP . 68.1 m-20 -67.44 -50.17 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.443 HD11 ' CD1' ' A' ' 74' ' ' TYR . 59.3 tp -45.83 -44.41 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.5 mm -49.1 -54.43 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -60.79 -48.03 83.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -50.36 -47.57 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' HIS . 62.8 mt -61.44 -49.82 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -63.85 -17.68 63.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -90.84 -66.17 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.65 -52.03 14.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 84' ' ' ILE . 22.9 m-70 -99.44 42.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -53.57 126.69 48.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.7 68.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.641 2.227 . . . . 0.0 112.36 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -94.11 80.99 4.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -126.07 109.06 11.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 m -98.46 -44.98 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.8 -126.53 2.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.58 164.78 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -114.48 81.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.86 173.38 15.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' CB ' ' HB2' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -128.99 89.89 47.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.1 Cg_endo -69.83 -35.78 11.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 32.7 m-85 -68.72 127.22 32.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -116.78 150.97 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 15' ' ' CYS . 43.7 t -81.01 128.38 71.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -11.38 30.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -101.56 -41.6 6.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 7.8 p -132.83 -176.81 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -87.63 34.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 31.1 t80 -82.69 156.69 23.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB2' ' CB ' ' A' ' 8' ' ' LYS . . . -148.38 156.53 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.069 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -158.91 115.02 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.08 -29.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 22' ' ' LYS . 19.3 mt -92.32 142.64 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.426 ' N ' HG23 ' A' ' 21' ' ' ILE . 13.8 tptm -71.71 -52.98 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.71 -37.05 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -52.91 -61.23 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.6 tp -41.2 -42.88 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -58.58 -51.36 70.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -65.57 -42.09 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.585 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 43.0 t60 -51.89 -34.38 40.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.75 -19.43 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 27' ' ' VAL . 13.3 mmm-85 -57.98 -39.67 78.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -72.73 -18.58 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -78.01 12.06 1.97 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -174.39 169.28 3.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' N ' ' OG1' ' A' ' 33' ' ' THR . . . 71.85 -157.22 52.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.496 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -128.74 137.56 51.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.941 0.401 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -127.93 99.87 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.611 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 6.3 m-85 -93.98 98.14 10.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.2 150.98 47.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.0 t -73.61 140.1 45.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.22 15.42 5.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.0 m-85 -124.19 -33.34 3.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 p -144.12 -175.38 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -85.0 35.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.434 ' CG ' ' N ' ' A' ' 45' ' ' THR . 51.3 t80 -88.3 159.26 18.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 12.8 p -149.63 150.28 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.72 152.85 42.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -95.21 32.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -168.91 126.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.611 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 4.5 mttm -56.0 -63.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.61 -48.46 3.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -60.11 -55.43 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 tp -43.18 -41.38 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -57.68 -44.73 86.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.32 -42.2 95.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -47.01 -39.46 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.3 mt -78.51 -36.51 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.31 -10.0 59.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -113.26 -37.82 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.1 t -92.12 -63.19 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.056 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -90.51 37.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' CD ' ' HG3' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -78.76 134.75 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HG3' ' CD ' ' A' ' 61' ' ' LYS . 4.9 mtpm? 62.15 55.24 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.9 tt -104.27 137.97 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -49.88 -179.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.444 ' CB ' HD21 ' A' ' 80' ' ' LEU . 28.5 mt-30 -147.33 149.73 33.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 23.2 p-80 -119.05 116.05 25.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.4 t -48.87 156.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.494 ' HD3' ' CD1' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -101.93 -7.1 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.494 ' CD1' ' HD3' ' A' ' 68' ' ' ARG . 8.2 m-85 -100.38 -58.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 71' ' ' LYS . 27.1 p -102.45 16.05 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 70' ' ' CYS . 18.9 mtpt 35.9 45.3 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -100.81 125.43 47.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -79.82 149.14 31.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 75' ' ' SER . 42.2 m-85 -137.78 115.08 11.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 74' ' ' TYR . 84.5 p -34.97 -51.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -119.92 137.33 54.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.1 p -60.86 -39.85 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.418 ' N ' HG13 ' A' ' 77' ' ' VAL . 54.7 mttm -39.54 -51.89 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -63.93 -49.32 73.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.444 HD21 ' CB ' ' A' ' 65' ' ' GLN . 40.4 tp -45.36 -41.65 9.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.2 mm -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -62.39 -35.86 80.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -58.58 -39.26 79.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' HIS . 82.4 mt -73.04 -51.62 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -61.3 -21.07 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -97.06 -65.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.36 -52.02 51.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 84' ' ' ILE . 57.3 m-70 -102.83 41.47 1.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.83 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -53.84 125.65 47.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.702 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.412 ' HG2' ' CG ' ' A' ' 92' ' ' ASP . 54.1 Cg_endo -69.73 -169.35 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -65.69 -14.7 61.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.412 ' CG ' ' HG2' ' A' ' 90' ' ' PRO . 2.3 p30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 p -103.33 -60.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -121.01 81.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.55 81.63 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -150.41 156.38 41.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -112.15 111.84 23.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.7 -149.72 31.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 30.9 mttt 61.88 53.52 2.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.0 Cg_endo -69.77 -29.75 23.31 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 42.3 m-85 -77.06 131.23 38.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -118.44 150.71 39.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' CYS . 52.7 t -84.82 123.2 74.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.2 13.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.325 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 29.0 mt-30 -106.56 -37.77 6.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 9.2 p -138.33 -174.7 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -87.41 33.53 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.756 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 49.7 t80 -84.26 143.44 29.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -136.35 137.48 40.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -129.37 143.83 51.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.99 -28.01 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.1 mt -105.81 155.74 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 21.8 tptp -72.85 -52.17 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.9 -42.46 27.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.065 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.434 ' O ' HG12 ' A' ' 27' ' ' VAL . 9.4 t-20 -52.78 -66.22 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -38.63 -41.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 29.6 m-80 -61.92 -44.62 96.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -71.25 -38.65 70.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.756 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 37.9 t60 -64.99 -18.85 65.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.3 mt -91.01 -23.52 20.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -57.52 -38.91 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -77.25 -14.15 59.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.406 ' HB3' ' CD ' ' A' ' 14' ' ' GLN . 14.6 m-70 -82.13 22.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.0 p -120.14 170.54 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.62 -154.24 16.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 11.6 tt0 -56.55 117.49 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -95.69 104.62 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 35' ' ' GLU . 4.3 m-85 -93.44 97.9 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.97 152.12 42.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.93 135.95 37.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.72 18.19 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.417 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 2.6 m-85 -126.16 -31.87 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -146.04 -175.13 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -83.8 34.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.425 ' CG ' ' N ' ' A' ' 45' ' ' THR . 45.4 t80 -86.24 158.87 19.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.425 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 14.6 p -150.67 153.84 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.0 t -148.49 173.44 13.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.22 36.87 4.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 p -174.6 105.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -37.94 -48.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.2 -59.88 6.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -54.84 -48.15 73.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.6 tp -48.79 -40.19 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HG2' ' N ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -60.54 -37.28 80.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.521 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 87.8 t -67.0 -43.81 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.458 ' CE1' HG22 ' A' ' 59' ' ' VAL . 36.5 t60 -51.88 -37.89 53.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.06 -34.5 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -77.18 -9.85 59.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.446 ' CG ' HG21 ' A' ' 59' ' ' VAL . 9.6 ptm180 -113.81 -42.23 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.458 HG22 ' CE1' ' A' ' 55' ' ' HIS . 59.8 t -85.52 -64.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 19.8 m-70 -95.5 44.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 102.91 7.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER 74.77 56.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.5 tt -60.87 135.43 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -40.02 157.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' NE2' ' HB ' ' A' ' 77' ' ' VAL . 30.3 mt-30 -128.69 97.62 4.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 44.1 p-80 -111.1 134.12 52.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.2 t -47.04 157.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.589 ' HD2' ' CD1' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -101.9 -3.57 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.589 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 21.1 m-85 -105.6 -44.78 4.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' LYS . 28.4 p -113.41 15.26 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' CYS . 6.4 mptt 34.76 54.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 66' ' ' HIS . 20.3 tttm -109.53 112.6 24.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 9.0 ptpp? -67.32 147.74 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -133.91 127.16 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.6 t -46.15 -42.44 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -129.94 158.66 38.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.471 ' HB ' ' NE2' ' A' ' 65' ' ' GLN . 12.9 p -70.03 -46.34 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' VAL . 0.0 OUTLIER -34.75 -62.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -53.38 -51.55 62.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 65' ' ' GLN . 56.0 tp -47.38 -39.74 15.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.7 mm -59.73 -54.45 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -63.44 -47.79 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -43.4 -44.52 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.559 ' O ' ' C ' ' A' ' 88' ' ' HIS . 51.8 mt -66.88 -42.32 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -70.69 -12.8 61.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -97.53 -51.6 4.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.77 -53.2 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.559 ' C ' ' O ' ' A' ' 84' ' ' ILE . 15.8 m-70 -105.05 60.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.11 122.36 87.15 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 178.39 4.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 70.46 42.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -98.83 171.0 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 110.837 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -70.5 80.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.06 -114.05 3.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -81.53 81.45 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 m -129.43 176.68 7.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.56 -146.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.423 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 12.6 mttp 62.1 54.85 2.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.697 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.3 Cg_endo -69.74 -44.17 2.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 32.9 m-85 -64.37 128.99 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -126.67 151.75 47.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 15' ' ' CYS . 50.8 t -86.07 125.61 67.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -11.09 30.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' NE2' ' CB ' ' A' ' 32' ' ' HIS . 30.8 mt-30 -96.47 -41.59 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 12' ' ' CYS . 11.5 p -134.77 177.37 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 t -82.18 40.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 34.9 t80 -89.26 147.64 24.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.46 150.27 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 t -154.21 142.47 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.01 7.79 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.6 mm -124.67 119.47 56.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -53.4 -49.26 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.64 -46.59 73.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -46.95 -60.79 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 tp -41.64 -47.07 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -55.96 -51.02 69.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.24 -51.66 68.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -44.7 -47.67 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -51.36 -30.5 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -49.42 -29.58 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' A' ' 33' ' ' THR . 43.8 mttt -73.43 -28.13 61.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.478 ' CB ' ' NE2' ' A' ' 14' ' ' GLN . 61.5 m-70 -80.1 21.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.413 ' H ' ' C ' ' A' ' 31' ' ' LYS . 73.8 p -101.25 171.1 7.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.57 55.97 2.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -133.7 169.92 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.967 0.413 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -89.34 98.72 11.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 49' ' ' LYS . 35.2 m-85 -94.62 95.25 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 144.56 54.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.1 t -70.33 139.03 51.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.71 21.34 2.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.3 m-85 -130.83 -32.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.4 p -144.24 -179.31 6.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 m -81.92 38.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -89.07 150.98 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -149.81 149.72 30.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.4 t -150.02 159.6 44.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 47' ' ' LEU . 4.5 mm? -97.78 35.22 1.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.4 t -162.98 106.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 13.9 ptmt -46.77 -51.41 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.59 -53.91 8.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 51' ' ' HIS . 2.5 t-160 -53.81 -53.5 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.3 tp -40.54 -47.3 2.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -53.36 -46.22 69.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.0 -41.14 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -51.48 -39.81 58.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 18.1 mt -78.09 -39.76 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.22 -14.01 62.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' CG ' HG22 ' A' ' 59' ' ' VAL . 5.8 ptm180 -110.33 -37.75 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.433 HG22 ' CG ' ' A' ' 58' ' ' ARG . 63.6 t -90.72 -64.42 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -99.24 54.35 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 148.19 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 40.65 55.02 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.4 tt -74.05 150.17 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -100.43 122.06 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -101.08 138.91 37.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 66' ' ' HIS . 33.2 p-80 -131.56 111.73 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 27.5 t -46.36 160.25 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -109.85 -18.68 13.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.431 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 45.8 m-85 -77.93 -56.09 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -107.57 -4.62 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 67' ' ' CYS . 39.0 mmtm 65.96 28.23 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.445 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 4.3 tptm -79.93 124.86 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -80.36 154.61 27.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.523 ' CD1' HD12 ' A' ' 80' ' ' LEU . 48.9 m-85 -151.18 131.61 13.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.4 t -61.12 -57.01 14.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.84 134.4 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.02 -41.02 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -39.42 -55.81 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.1 -52.29 65.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.523 HD12 ' CD1' ' A' ' 74' ' ' TYR . 59.5 tp -42.52 -44.51 4.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.4 mm -52.97 -51.19 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -39.96 94.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -47.31 -47.74 25.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 88' ' ' HIS . 38.2 mt -65.44 -47.66 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -53.79 -25.23 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -97.81 -66.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.7 62.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.476 ' C ' ' O ' ' A' ' 84' ' ' ILE . 44.2 m-70 -107.58 44.06 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 37.6 p-10 -48.79 105.96 0.56 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 135.9 31.44 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 92' ' ' ASP . 56.2 mm-40 -91.08 84.59 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLN . 18.9 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -107.57 140.83 39.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.382 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -172.49 124.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.18 76.68 0.39 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.8 m -60.89 139.91 57.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -142.66 164.72 29.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . 127.76 163.91 11.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.523 ' HB3' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -148.31 105.08 3.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.78 -44.51 2.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -59.94 101.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.46 151.14 19.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 15' ' ' CYS . 43.9 t -81.88 124.92 78.83 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -1.45 8.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -109.4 -33.96 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.6 p -141.15 -175.12 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 p -86.88 31.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 69.0 t80 -81.44 156.21 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -145.78 148.93 33.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.523 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -155.62 118.61 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -79.0 31.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 22' ' ' LYS . 61.0 mt -152.68 105.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.535 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -33.9 -54.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.43 -47.92 18.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.426 ' O ' HG12 ' A' ' 27' ' ' VAL . 44.6 m-20 -55.37 -65.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.8 tp -41.61 -37.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 68.9 m-80 -65.01 -48.13 75.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.426 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -69.64 -28.67 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.678 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 66.2 t60 -70.03 -40.21 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.809 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.37 -18.33 64.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.573 ' CE ' ' CE1' ' A' ' 28' ' ' HIS . 0.7 OUTLIER -65.77 -18.79 65.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -84.16 21.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.44 152.8 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.53 177.23 19.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.89 164.17 26.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -97.67 98.25 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 22.0 m-85 -90.26 107.78 19.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.7 146.35 31.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.6 t -69.11 139.89 54.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -86.59 20.05 2.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -128.22 -34.89 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.9 p -140.87 -176.76 4.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.3 p -84.26 33.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -87.41 155.52 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 p -146.55 155.34 42.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.5 t -147.28 169.89 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 31' ' ' LYS . 4.0 mm? -109.52 36.03 3.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -172.21 105.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 8.3 pttt -41.08 -47.71 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.29 -51.58 35.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -58.24 -46.71 85.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.3 tp -44.15 -41.92 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -58.43 -46.79 85.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.9 t -58.33 -40.15 76.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.456 ' CE1' HG23 ' A' ' 59' ' ' VAL . 33.2 t60 -52.91 -39.05 62.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.9 mt -79.51 -30.78 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -77.8 -8.97 58.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -117.41 -38.12 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG23 ' CE1' ' A' ' 55' ' ' HIS . 71.8 t -88.85 -65.4 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -97.51 48.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -78.48 120.28 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.4 tttm 70.47 56.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 64' ' ' LYS . 3.2 tp -65.77 143.06 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.5 mmpt? -99.96 112.96 25.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -96.46 100.82 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -104.99 110.93 23.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.7 t -47.85 123.65 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -83.65 25.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -120.68 -44.19 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 5.9 p -129.0 8.71 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? 61.87 31.04 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 7.4 tptm -80.91 123.29 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.93 154.28 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -153.64 138.28 16.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.0 t -76.03 -44.82 37.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.6 123.25 46.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 78' ' ' LYS . 12.0 p -50.44 -37.96 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.459 ' N ' HG12 ' A' ' 77' ' ' VAL . 25.1 mtmm -43.76 -46.66 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.04 -50.25 62.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.2 tp -44.79 -41.82 7.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.79 -49.47 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -61.75 -42.22 98.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -52.11 -58.84 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 88' ' ' HIS . 27.5 mt -49.52 -48.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -66.22 -12.68 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -95.43 -63.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.71 -50.64 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 84' ' ' ILE . 59.0 m-70 -95.44 46.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 89' ' ' ASP . 8.2 p30 -65.14 116.79 33.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.706 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 85.44 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.236 . . . . 0.0 112.347 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 92' ' ' ASP . 31.2 tp60 -97.16 99.48 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' GLN . 7.0 m-20 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -114.42 86.71 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -91.22 178.14 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.4 -71.96 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -49.87 166.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 p -73.96 145.63 44.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.17 -141.22 3.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 35.9 mtpt 58.62 53.46 5.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.6 Cg_endo -69.78 -38.22 8.04 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.506 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 35.5 m-85 -69.63 119.47 13.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -117.47 151.22 37.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' CYS . 18.2 t -82.04 117.68 69.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 0.51 5.51 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.709 2.273 . . . . 0.0 112.368 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -111.46 -34.94 5.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.483 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.1 p -136.05 -176.04 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.1 m -89.53 39.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 52.0 t80 -93.5 153.86 18.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.32 148.78 23.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -150.02 161.83 41.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.55 -32.06 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.4 mt -91.6 147.76 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.32 -47.64 33.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.76 -39.82 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.423 ' O ' HG13 ' A' ' 27' ' ' VAL . 3.6 m120 -52.8 -48.23 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -54.7 -34.77 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -67.98 -46.64 70.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG13 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -69.68 -31.81 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.628 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 54.4 t60 -68.7 -52.59 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.33 -25.53 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -52.07 -43.47 63.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -55.67 -18.59 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -98.75 24.04 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.8 p -99.5 -174.2 2.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -106.54 -148.7 15.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.15 138.98 58.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.947 0.403 . . . . 0.0 110.902 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -107.04 100.79 10.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.58 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 22.7 m-85 -91.6 95.97 10.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.29 149.26 48.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.74 137.43 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -85.02 20.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -128.94 -34.44 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.0 p -143.21 -175.71 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.2 t -83.96 37.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -89.8 157.26 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 p -150.76 152.63 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.4 t -151.94 155.21 37.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' N ' HD21 ' A' ' 47' ' ' LEU . 4.2 mm? -96.39 38.35 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -164.99 131.04 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.58 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 9.0 mtpt -63.45 -56.78 13.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.18 -47.38 55.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.55 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -57.74 -49.49 76.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.7 tp -45.63 -44.06 12.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.2 -52.39 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.845 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.473 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 83.3 t -49.73 -44.78 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -51.54 -39.19 57.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.3 mt -79.0 -27.19 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.96 -9.96 58.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 5.8 ptm180 -114.16 -37.88 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.407 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 91.5 t -89.73 -64.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -93.17 43.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.6 141.86 33.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm 55.03 55.05 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.6 tt -91.75 146.44 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -107.02 99.25 8.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.416 ' CB ' HD21 ' A' ' 80' ' ' LEU . 13.7 mm100 -56.56 121.33 9.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 14.2 p-80 -112.3 117.83 33.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.0 t -47.85 157.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.505 ' HD3' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -103.13 -18.95 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.505 ' CD1' ' HD3' ' A' ' 68' ' ' ARG . 6.5 m-85 -87.51 -58.68 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 71' ' ' LYS . 29.6 p -99.68 16.92 21.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 70' ' ' CYS . 51.2 mmtt 33.95 39.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -103.58 121.14 42.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 0.0 OUTLIER -88.36 144.17 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.501 ' CD1' HD11 ' A' ' 80' ' ' LEU . 10.2 m-85 -120.86 135.03 55.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' TYR . 14.1 t -36.46 -53.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -123.21 151.25 42.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' LYS . 7.9 p -63.57 -47.16 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' VAL . 9.8 mmmt -36.8 -55.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -60.29 -52.59 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.501 HD11 ' CD1' ' A' ' 74' ' ' TYR . 57.6 tp -46.26 -44.38 16.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.5 mm -48.98 -55.26 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -61.53 -44.95 96.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -48.64 -41.03 29.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 88' ' ' HIS . 88.7 mt -70.8 -48.6 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -64.89 -20.12 66.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.69 -66.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.57 -53.07 47.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' ILE . 62.9 m-70 -100.97 39.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 91' ' ' GLN . 18.1 p-10 -52.19 116.19 8.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 14.42 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.294 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 89' ' ' ASP . 18.6 mt-30 64.14 41.64 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -95.63 175.73 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -48.66 148.55 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.17 69.96 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -105.22 81.82 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -112.64 78.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.99 -123.79 1.04 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 69.1 mttt 49.24 54.18 15.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.474 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.76 -34.35 14.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.385 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 56.3 m-85 -73.48 117.9 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -113.19 147.49 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 15' ' ' CYS . 22.5 t -81.57 121.37 79.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.722 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -2.96 11.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -108.3 -36.72 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.9 p -138.17 -175.17 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -88.88 36.35 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.762 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 23.8 t80 -87.24 147.86 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.09 156.06 43.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 t -157.4 142.29 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.9 25.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -147.55 140.54 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 19.6 tptm -64.86 -54.2 34.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.71 -40.42 40.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -53.74 -64.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.5 tp -41.12 -37.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 51.8 m-80 -66.34 -53.11 40.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -61.79 -37.11 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.762 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 55.2 t60 -65.86 -35.9 81.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 mt -68.79 -30.36 68.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -53.03 -32.49 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -71.23 -33.04 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' THR . 44.1 m-70 -68.19 -23.36 64.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 32' ' ' HIS . 54.6 p -34.15 140.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 96.72 50.81 1.75 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' OE1' ' CE2' ' A' ' 37' ' ' PHE . 15.1 tt0 -37.03 154.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.462 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 14.7 mmtt -112.54 97.69 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.589 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 12.0 m-85 -88.9 106.56 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.76 136.77 35.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.8 t -56.18 131.16 47.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.08 14.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.578 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 18.6 m-85 -124.24 -29.71 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 44' ' ' PHE . 16.8 p -145.58 -175.22 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.5 m -84.67 28.52 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.446 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 29.8 t80 -79.78 151.72 30.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.0 p -143.59 154.05 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.35 173.55 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD2' ' HE2' ' A' ' 36' ' ' LYS . 90.2 mt -113.58 34.49 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -167.3 124.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.589 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -61.03 -53.6 55.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.52 -44.52 22.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -65.62 -50.53 64.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.3 tp -42.25 -46.35 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' HD3' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -51.87 -50.81 60.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.506 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 59.2 t -51.58 -55.56 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.481 ' CE1' HG11 ' A' ' 59' ' ' VAL . 37.7 t60 -38.28 -47.65 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.532 ' CG2' ' HB2' ' A' ' 60' ' ' HIS . 59.7 mt -69.54 -42.32 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.6 -8.51 54.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 -112.82 -29.79 7.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.591 ' CG1' ' N ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -113.33 -48.61 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.591 ' N ' ' CG1' ' A' ' 59' ' ' VAL . 99.6 m-70 -97.03 42.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -82.51 151.03 26.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.8 tptm 69.52 56.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 64' ' ' LYS . 17.5 tt -154.75 156.06 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' ILE . 3.0 mppt? -36.38 106.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.451 ' CB ' HD23 ' A' ' 80' ' ' LEU . 2.6 mm-40 -107.24 164.24 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 36.1 p-80 -131.86 112.73 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.8 t -46.76 158.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -107.47 -10.15 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 88.1 m-85 -93.57 -44.11 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' LYS . 25.1 p -122.06 20.04 10.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' CYS . 7.2 mptt 35.59 44.43 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -99.99 127.27 46.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 65' ' ' GLN . 28.0 mttp -83.25 142.9 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 26.7 m-85 -126.74 119.33 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 74' ' ' TYR . 13.3 p -37.07 -46.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.4 122.79 28.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 78' ' ' LYS . 7.8 p -42.26 -45.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.3 mmmm -33.29 -50.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -66.71 -49.2 66.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 74' ' ' TYR . 50.2 tp -46.29 -43.99 16.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.0 mm -52.96 -55.78 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -63.28 -46.36 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.488 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 5.8 t60 -45.19 -47.89 12.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' HIS . 75.2 mt -65.23 -40.15 87.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 11.1 mmm180 -63.37 -25.83 68.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -95.71 -66.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.44 65.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 84' ' ' ILE . 23.2 m-70 -106.94 41.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -55.17 113.57 5.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.863 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.78 36.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.252 . . . . 0.0 112.352 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -91.2 97.44 11.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 m -109.53 109.78 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -100.29 124.05 45.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.13 104.68 3.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.562 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 95.1 p -124.91 -43.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 23.4 m -36.72 -48.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.55 -167.72 32.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 26.2 mttm 62.19 53.04 2.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.74 -37.43 9.23 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.354 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 57.8 m-85 -71.57 131.77 43.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.76 150.77 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.42 119.27 75.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 0.46 5.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.48 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 27.0 mt-30 -112.15 -35.63 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.9 p -135.63 -174.7 3.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m -89.74 36.42 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.755 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 60.2 t80 -89.07 155.85 19.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.4 138.34 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 p -130.65 158.61 39.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.26 -37.02 13.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.3 mp -94.07 139.4 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -56.79 -37.56 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.78 -38.96 80.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -50.01 -54.69 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.5 tp -47.75 -41.57 23.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -62.44 -51.67 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.501 ' C ' ' HG2' ' A' ' 30' ' ' ARG . 2.2 p -61.15 -21.84 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.755 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 35.4 t60 -86.05 -23.37 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' HIS . 13.1 mt -83.51 -23.53 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' HG2' ' C ' ' A' ' 27' ' ' VAL . 7.9 mmm180 -42.02 -52.81 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -23.08 66.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.48 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 32.3 m-70 -82.38 23.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.3 p -94.54 179.45 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.125 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' N ' HD12 ' A' ' 47' ' ' LEU . . . 143.24 -121.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.541 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -87.46 139.25 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -109.29 100.04 9.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.586 ' CE1' ' HD3' ' A' ' 49' ' ' LYS . 2.5 m-85 -86.81 87.47 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.0 138.17 57.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.14 135.61 57.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -82.31 15.63 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.414 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 1.9 m-85 -126.55 -37.63 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -137.64 -176.66 4.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.8 m -83.72 36.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' THR . 21.6 t80 -86.23 158.29 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.426 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.1 p -151.44 152.35 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.2 t -151.96 171.63 17.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 34' ' ' GLY . 4.1 mm? -114.26 34.68 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.9 t -159.66 126.71 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.586 ' HD3' ' CE1' ' A' ' 37' ' ' PHE . 15.3 mmtp -57.96 -65.36 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.62 -49.3 7.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -55.07 -51.98 64.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.1 tp -45.23 -46.11 12.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -57.92 -44.39 86.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.36 -42.43 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -49.2 -42.71 41.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.1 mt -76.05 -42.21 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.83 -13.45 61.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' CG ' HG21 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -110.6 -33.8 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.46 HG21 ' CG ' ' A' ' 58' ' ' ARG . 85.5 t -98.2 -61.25 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -99.3 56.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -95.9 159.5 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' LYS . 7.9 tptp 34.56 55.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.7 tt -95.53 142.09 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -38.58 152.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.457 ' CB ' HD23 ' A' ' 80' ' ' LEU . 24.4 mt-30 -134.64 130.48 36.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 66' ' ' HIS . 7.0 p-80 -98.29 129.24 45.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.71 125.67 25.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' CZ ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 ppt_? -81.57 20.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CZ ' ' CZ ' ' A' ' 68' ' ' ARG . 98.4 m-85 -123.41 -48.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 71' ' ' LYS . 28.6 p -123.35 24.86 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 70' ' ' CYS . 7.5 mmpt? 37.27 54.33 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -115.26 119.76 37.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -76.41 148.53 37.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -136.7 116.77 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -39.63 -45.18 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.18 136.57 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.3 p -63.68 -42.88 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.464 ' N ' HG13 ' A' ' 77' ' ' VAL . 32.2 mtmt -38.89 -53.23 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.02 -50.88 68.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD23 ' CB ' ' A' ' 65' ' ' GLN . 57.8 tp -44.7 -42.39 7.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.5 mm -55.98 -58.88 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -59.17 -46.47 88.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -44.77 -44.55 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.3 mt -67.63 -50.99 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -63.1 -19.05 64.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.91 -65.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.2 -50.91 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 -93.99 36.34 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -55.8 110.85 2.54 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.592 0.71 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -174.16 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -79.05 83.78 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 50.2 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 53.4 Cg_endo -69.83 -32.06 19.01 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.296 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 46.3 m-85 -74.89 117.68 17.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -109.51 152.82 24.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.468 ' HA ' HD11 ' A' ' 25' ' ' LEU . 44.1 t -90.67 119.65 68.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.543 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.81 1.54 4.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.304 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -109.34 -33.25 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 1.8 p -144.87 -175.0 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -87.51 35.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 48.3 t80 -85.88 157.4 20.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -154.33 157.35 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -158.07 166.18 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -101.09 23.17 11.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 20' ' ' ALA . 66.2 mt -152.93 134.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.47 ' CD ' ' H ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -59.29 -53.63 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.67 -49.66 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' HG12 ' A' ' 27' ' ' VAL . 20.5 m-20 -52.85 -49.89 64.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 10' ' ' TYR . 35.0 tp -52.42 -35.88 53.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -67.83 -54.71 16.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -60.4 -34.8 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 59.9 t60 -65.58 -37.52 86.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.543 HD21 ' HD2' ' A' ' 13' ' ' PRO . 31.0 mt -66.31 -29.4 69.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -60.15 -34.8 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -63.8 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 49.1 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mttp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 49' ' ' LYS . 66.0 m-85 -91.36 106.19 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.06 149.34 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' HA ' HD11 ' A' ' 52' ' ' LEU . 41.1 t -76.29 137.11 39.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.5 22.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.42 ' HB2' ' NE2' ' A' ' 60' ' ' HIS . 3.8 m-85 -130.97 -35.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.6 p -141.97 -176.16 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.8 p -83.14 36.93 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -89.32 155.78 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 p -148.74 152.68 37.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 t -152.92 155.03 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.03 -31.14 22.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.8 t -98.96 112.84 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 25.8 ttmt -52.13 -46.57 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.64 -39.67 54.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -67.59 -49.84 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 28.7 tp -43.68 -46.05 7.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -55.11 -46.03 75.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.8 -41.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.43 ' CE1' HG21 ' A' ' 59' ' ' VAL . 16.4 t60 -51.06 -35.69 35.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.508 HG23 ' HB2' ' A' ' 60' ' ' HIS . 47.9 mt -79.55 -33.88 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -76.9 -9.62 58.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -114.15 -41.06 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 55' ' ' HIS . 70.9 t -86.73 -64.9 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.508 ' HB2' HG23 ' A' ' 56' ' ' ILE . 60.4 m-70 -89.81 35.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -104.15 115.8 31.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.33 120.23 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -75.38 6.31 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -105.93 -52.1 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.4 p -118.97 25.16 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' CYS . 8.7 mmpt? 36.27 47.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -109.07 121.05 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 150.86 39.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -141.11 116.56 10.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.7 m -46.96 -48.52 21.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -113.84 110.73 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 78' ' ' LYS . 8.3 p -44.73 -43.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 77' ' ' VAL . 15.1 mmmt -37.93 -48.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -64.98 -50.36 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.0 tp -43.49 -40.12 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.3 mm -60.08 -57.39 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -56.6 -39.86 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -53.5 -57.61 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 88' ' ' HIS . 89.8 mt -50.35 -42.74 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -71.53 -15.52 62.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -94.93 -64.73 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.78 -52.39 8.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.547 ' HB2' HG23 ' A' ' 84' ' ' ILE . 68.7 m-70 -87.49 37.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 20.9 mtmm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.2 Cg_endo -69.72 -39.77 6.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.392 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 60.8 m-85 -72.43 116.72 13.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -110.65 151.05 28.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' HA ' HD11 ' A' ' 25' ' ' LEU . 48.2 t -82.19 121.19 78.54 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.505 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.77 -1.63 8.8 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.741 2.294 . . . . 0.0 112.351 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -110.35 -35.52 6.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.464 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -137.15 -174.98 3.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -90.09 37.35 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.706 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 46.1 t80 -86.88 156.26 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 8' ' ' LYS . . . -150.89 150.51 30.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -146.97 164.36 33.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -104.98 22.59 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 20' ' ' ALA . 79.0 mt -149.56 141.53 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 tppp? -62.69 -52.17 64.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.56 60.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.43 ' O ' HG12 ' A' ' 27' ' ' VAL . 28.4 m-20 -55.12 -68.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 12' ' ' CYS . 23.1 tp -37.31 -41.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 34.8 m-80 -61.99 -50.35 72.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -64.83 -35.6 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.706 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 42.6 t60 -68.2 -28.55 67.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD21 ' HD2' ' A' ' 13' ' ' PRO . 26.7 mt -77.51 -21.57 52.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -54.54 -44.6 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -67.07 -18.62 65.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.7 mttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -89.64 108.05 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.52 152.69 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' HD11 ' A' ' 52' ' ' LEU . 40.7 t -72.99 137.13 45.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.54 21.29 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.6 m-85 -130.6 -34.73 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.29 -175.07 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -84.26 32.63 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 45' ' ' THR . 50.4 t80 -85.35 159.25 20.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 16.8 p -149.55 154.11 38.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.78 165.54 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.7 mt -110.29 33.15 4.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -172.62 104.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -36.67 -48.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.65 -53.88 9.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -60.56 -47.84 84.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 39' ' ' CYS . 17.3 tp -48.2 -44.38 32.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -57.73 -45.88 85.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.14 -42.74 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -46.9 -41.24 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.997 HG23 ' HB2' ' A' ' 60' ' ' HIS . 29.0 mt -77.15 -39.13 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.49 -11.18 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -115.22 -33.69 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.5 t -98.29 -61.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.997 ' HB2' HG23 ' A' ' 56' ' ' ILE . 77.2 m-70 -92.86 43.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.518 HE22 ' N ' ' A' ' 77' ' ' VAL . 20.4 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 49.4 p-80 -112.8 103.08 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 17.1 t -46.57 158.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -106.47 -14.9 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.441 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 94.8 m-85 -85.43 -52.08 6.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 71' ' ' LYS . 17.9 p -116.59 23.25 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' CYS . 26.3 mmmt 35.32 35.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' CYS . 26.8 mttm -90.29 140.64 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -88.27 144.67 26.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.469 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 12.5 m-85 -135.46 125.84 26.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 4.5 m -83.22 24.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' SER . 6.2 m-20 -170.4 141.46 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.518 ' N ' HE22 ' A' ' 65' ' ' GLN . 13.3 p -80.71 -43.43 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.486 ' N ' HG13 ' A' ' 77' ' ' VAL . 32.3 mmtm -46.57 -47.42 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -70.75 -44.81 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 65' ' ' GLN . 63.4 tp -48.61 -37.32 17.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 77' ' ' VAL . 43.4 mm -61.14 -56.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -59.68 -48.05 83.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.469 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 6.2 t60 -43.56 -46.02 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.963 HG23 ' HB2' ' A' ' 88' ' ' HIS . 48.0 mt -71.25 -46.71 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -13.45 58.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -97.26 -52.45 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.01 -53.62 3.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.963 ' HB2' HG23 ' A' ' 84' ' ' ILE . 29.6 m-70 -90.62 50.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 41.5 mttm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.578 0.704 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.78 -38.0 8.36 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 25' ' ' LEU . 57.6 m-85 -69.14 128.59 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.05 151.3 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' CYS . 48.0 t -85.37 119.04 71.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.621 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.79 0.78 5.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -111.26 -33.29 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -140.59 -175.1 4.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -88.58 37.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.761 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 39.2 t80 -90.13 152.69 21.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.94 151.96 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.5 164.95 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.64 18.95 21.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 76.1 mt -147.33 133.68 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.505 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 19.2 tptt -54.42 -54.68 37.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -48.64 -45.41 38.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.454 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.6 m120 -50.25 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 10' ' ' TYR . 22.4 tp -37.05 -43.9 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 43.1 m-80 -59.98 -51.08 71.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -63.19 -34.91 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.761 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 58.1 t60 -66.99 -40.13 87.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD21 ' HD2' ' A' ' 13' ' ' PRO . 16.5 mt -64.97 -23.29 67.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -58.54 -27.29 64.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.691 ' HB3' HD21 ' A' ' 47' ' ' LEU . 48.2 mttt -76.41 -25.78 54.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.613 ' CZ ' ' HD2' ' A' ' 49' ' ' LYS . 30.6 m-85 -89.19 95.43 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.67 155.69 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.3 t -77.9 138.7 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.66 19.05 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -127.25 -38.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -137.6 -175.28 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.1 t -85.21 34.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -87.51 153.48 21.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.4 p -145.91 156.91 43.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.2 t -153.78 164.45 38.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 31' ' ' LYS . 3.8 mm? -98.66 -14.0 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -117.05 103.25 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -42.62 -37.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.94 -59.85 10.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -52.07 -45.9 64.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.6 tp -45.07 -43.99 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -58.98 -45.07 91.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.67 -38.91 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -51.09 -39.71 56.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.681 HG23 ' HB2' ' A' ' 60' ' ' HIS . 33.1 mt -77.83 -37.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 3.8 mm-40 -74.17 -9.04 58.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -114.34 -35.92 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.6 t -95.0 -64.32 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.681 ' HB2' HG23 ' A' ' 56' ' ' ILE . 63.6 m-70 -88.21 40.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 57' ' ' GLU . 11.3 tppt? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HB3' HD22 ' A' ' 80' ' ' LEU . 15.1 mm100 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -115.06 112.24 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -46.74 159.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -104.93 -23.61 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.416 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 43.9 m-85 -81.47 -67.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 p -84.84 -13.33 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt 62.16 45.14 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -105.4 127.77 53.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -76.04 145.76 39.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.454 ' HH ' ' CE1' ' A' ' 83' ' ' HIS . 37.8 m-85 -134.58 127.43 31.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.1 p -48.41 -50.61 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -122.26 148.68 44.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.9 -38.38 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -40.53 -64.28 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -51.88 -53.41 41.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 65' ' ' GLN . 64.0 tp -42.51 -45.12 4.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.8 mm -47.85 -61.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -57.97 -48.3 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.454 ' CE1' ' HH ' ' A' ' 74' ' ' TYR . 13.7 t60 -43.35 -46.78 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 88' ' ' HIS . 68.1 mt -67.7 -37.67 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 8.0 mmm180 -69.09 -25.79 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -97.38 -66.05 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.37 -53.05 62.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 84' ' ' ILE . 72.1 m-70 -105.17 39.89 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 85' ' ' ARG . 4.3 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' HB3' ' N ' ' A' ' 19' ' ' SER . 22.3 mtmt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.571 0.701 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -36.77 10.14 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.6 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.4 m-30 -66.01 98.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.88 151.15 19.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' CYS . 53.1 t -84.82 123.26 74.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.8 0.45 5.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -110.22 -32.96 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 17' ' ' TYR . 6.3 p -144.56 -174.95 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -87.8 39.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 62.7 t80 -88.36 158.58 18.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -151.27 153.56 35.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.505 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -170.27 113.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.579 ' O ' ' CE2' ' A' ' 10' ' ' TYR . . . -55.28 -28.48 53.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 24' ' ' ASN . 22.1 mt -77.0 123.1 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 7.6 tptt -58.39 -50.5 73.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.29 70.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.6 m120 -53.32 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 10' ' ' TYR . 28.6 tp -38.81 -42.69 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 21.2 m-80 -61.01 -53.25 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -62.85 -36.5 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 48.8 t60 -64.61 -29.52 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.43 HD21 ' HD2' ' A' ' 13' ' ' PRO . 77.1 mt -78.23 -18.42 55.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 56.5 mtp180 -70.15 -35.89 74.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -67.75 -29.61 68.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 10.9 m-85 -89.11 106.59 18.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.29 155.96 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -80.22 140.33 36.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -87.47 19.94 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 60' ' ' HIS . 2.6 m-85 -127.74 -39.59 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -138.17 -174.58 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.5 m -83.25 32.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -84.16 152.92 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.2 p -146.91 153.01 39.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.02 143.46 22.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -76.89 -20.99 55.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m -112.9 102.46 10.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -44.28 -47.93 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.22 -50.72 9.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -63.66 -48.33 77.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.1 tp -41.86 -42.14 2.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.49 -50.0 73.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.511 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 94.3 t -54.58 -44.57 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -50.36 -36.48 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.747 HG23 ' HB2' ' A' ' 60' ' ' HIS . 31.2 mt -80.63 -36.32 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.71 -13.99 62.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -110.73 -38.62 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 64.7 t -90.28 -63.96 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.747 ' HB2' HG23 ' A' ' 56' ' ' ILE . 33.5 m-70 -97.3 50.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.686 ' HB3' HD22 ' A' ' 80' ' ' LEU . 33.1 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -88.79 119.88 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -56.56 121.12 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 3.77 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.29 -60.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' LYS . 22.0 p -110.57 24.47 12.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.6 OUTLIER 36.0 49.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -109.44 124.48 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -77.71 150.14 34.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -140.04 125.1 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 t -51.34 -61.02 2.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.63 128.87 54.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.8 -33.02 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -43.78 -54.51 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.02 -52.13 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 65' ' ' GLN . 55.5 tp -41.6 -42.7 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.4 -55.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -61.24 -47.93 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -47.47 -45.26 25.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.814 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.494 HG23 ' HB2' ' A' ' 88' ' ' HIS . 65.7 mt -65.9 -48.09 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.8 mtp85 -70.25 -11.42 60.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.43 -53.76 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.95 -52.6 3.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.494 ' HB2' HG23 ' A' ' 84' ' ' ILE . 70.7 m-70 -88.42 49.6 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.618 0.723 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.498 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 12.6 mtmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.569 0.699 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.73 -33.29 17.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.395 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.852 ' HB3' HD22 ' A' ' 25' ' ' LEU . 59.7 m-85 -71.97 105.74 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -94.03 149.99 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' CYS . 50.1 t -83.95 124.14 74.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.422 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.73 0.34 5.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -111.37 -30.94 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 9.7 p -148.21 -175.38 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -86.79 38.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.674 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 48.1 t80 -89.33 145.96 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.498 ' HB1' ' CB ' ' A' ' 8' ' ' LYS . . . -136.03 145.99 46.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.477 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -142.34 119.79 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.451 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -55.83 -29.22 59.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.5 145.03 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -63.32 -53.74 47.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -42.32 -61.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.463 ' O ' HG12 ' A' ' 27' ' ' VAL . 8.0 t-20 -37.73 -60.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.852 HD22 ' HB3' ' A' ' 10' ' ' TYR . 21.5 tp -41.93 -41.72 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 12.2 m120 -61.75 -48.62 79.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -67.0 -38.4 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.674 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.0 t60 -60.69 -31.42 70.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.422 HD21 ' HD2' ' A' ' 13' ' ' PRO . 31.6 mt -73.95 -21.2 60.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.3 -35.18 79.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -72.78 -13.22 61.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.516 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 9.5 m-85 -88.45 106.29 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.82 152.31 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.4 t -72.95 139.47 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -86.95 12.62 10.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.439 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 3.4 m-85 -121.51 -31.1 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.3 p -145.85 -177.22 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -83.52 36.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 45' ' ' THR . 29.7 t80 -87.43 157.77 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.41 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.0 p -152.24 154.13 35.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 t -152.3 160.06 43.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -100.23 30.92 3.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.4 t -157.99 109.06 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 37' ' ' PHE . 3.5 ttpm? -48.8 -43.44 38.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.25 -49.71 75.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -58.95 -44.68 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.6 tp -45.32 -45.69 12.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -53.89 -50.81 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.49 -46.32 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.462 ' CE1' HG21 ' A' ' 59' ' ' VAL . 51.9 t60 -48.57 -42.49 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.423 HG23 ' HB2' ' A' ' 60' ' ' HIS . 49.2 mt -79.33 -26.03 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' C ' ' HB2' ' A' ' 61' ' ' LYS . 19.2 mt-10 -82.18 -9.06 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -119.72 -33.0 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.462 HG21 ' CE1' ' A' ' 55' ' ' HIS . 61.1 t -91.32 -65.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 23.5 m-70 -96.63 43.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HB2' ' C ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HB3' HD22 ' A' ' 80' ' ' LEU . 1.2 tp60 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.796 0.331 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -104.29 130.3 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.9 t -73.11 118.92 16.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.657 ' NH1' HD11 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -73.1 4.36 4.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 63.5 m-85 -104.42 -46.6 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.5 p -128.33 30.29 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 32.2 47.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -101.76 127.55 48.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -81.43 138.57 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.43 ' CD1' HD13 ' A' ' 80' ' ' LEU . 24.0 m-85 -133.63 114.29 13.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' TYR . 2.9 m -37.51 -48.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.52 150.51 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 78' ' ' LYS . 8.1 p -75.43 -41.76 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -41.31 -60.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -53.95 -50.58 66.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 65' ' ' GLN . 57.3 tp -44.91 -45.81 10.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.0 mm -46.78 -58.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -59.25 -49.3 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -43.29 -37.22 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.657 HD11 ' NH1' ' A' ' 68' ' ' ARG . 24.8 mt -72.22 -41.52 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -72.12 -12.67 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -98.04 -45.43 6.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.88 -53.89 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.602 ' HB2' HG23 ' A' ' 84' ' ' ILE . 57.7 m-70 -95.43 51.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 49.5 mttm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.74 -41.86 3.93 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.521 ' HB3' HD22 ' A' ' 25' ' ' LEU . 53.8 m-85 -68.32 120.34 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -112.1 150.47 30.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 15' ' ' CYS . 38.9 t -83.95 118.96 72.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.661 0.744 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.0 Cg_endo -69.75 -3.0 11.12 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -109.19 -37.7 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -134.64 -175.33 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.8 m -90.31 38.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.751 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 41.3 t80 -90.57 155.95 18.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -150.19 148.89 29.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.1 170.89 15.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.96 -32.76 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.111 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.7 mt -92.85 147.91 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -70.14 -50.71 37.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.03 -33.51 52.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.424 ' O ' HG12 ' A' ' 27' ' ' VAL . 18.3 m-20 -57.64 -64.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 10' ' ' TYR . 40.8 tp -40.32 -36.52 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.441 ' HA ' HD12 ' A' ' 29' ' ' LEU . 37.1 m-80 -66.26 -50.23 64.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -65.8 -34.99 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.751 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 52.9 t60 -64.87 -34.62 78.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.536 HD21 ' HD2' ' A' ' 13' ' ' PRO . 9.9 mt -70.26 -22.76 62.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -59.51 -24.38 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -78.7 -28.52 45.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 92.0 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HE2' HD21 ' A' ' 47' ' ' LEU . 20.8 mmtt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.77 0.319 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 49' ' ' LYS . 21.7 m-85 -96.56 95.1 7.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.84 143.8 54.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 52' ' ' LEU . 53.6 t -64.9 138.35 58.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -85.26 18.07 2.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.1 m-85 -127.01 -32.35 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.51 -175.0 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 t -83.95 36.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 45' ' ' THR . 25.8 t80 -86.27 157.9 19.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.417 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 16.9 p -151.97 154.27 35.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.1 t -153.08 160.86 42.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 47' ' ' LEU . 2.2 mm? -99.26 30.83 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.1 m -158.0 143.34 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 37' ' ' PHE . 12.2 mttt -75.68 -49.17 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.65 -43.72 91.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -62.42 -50.36 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD22 ' CB ' ' A' ' 37' ' ' PHE . 14.7 tp -42.44 -44.53 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -59.03 -50.79 72.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.503 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 31.7 t -51.69 -42.8 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.401 ' CE1' HG21 ' A' ' 59' ' ' VAL . 37.6 t60 -51.16 -41.94 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mt -76.95 -22.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -86.07 -10.42 54.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 12.4 ptt85 -114.66 -37.72 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 69.5 t -88.43 -65.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -95.96 43.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HB3' HD22 ' A' ' 80' ' ' LEU . 22.3 mm100 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -112.4 132.37 55.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.0 t -58.89 158.82 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -105.8 -11.03 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.565 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 50.8 m-85 -88.9 -46.19 9.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 10.5 p -119.3 18.44 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? 40.64 42.37 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.464 ' HG2' ' CE2' ' A' ' 74' ' ' TYR . 10.1 tptt -89.38 112.71 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -74.77 130.16 38.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CE2' ' HG2' ' A' ' 72' ' ' LYS . 32.7 m-85 -128.58 116.78 20.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -51.58 -52.62 45.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -102.25 135.88 43.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 78' ' ' LYS . 15.0 p -66.24 -40.69 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' N ' HG13 ' A' ' 77' ' ' VAL . 3.9 mppt? -42.85 -46.71 5.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -66.35 -52.27 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 65' ' ' GLN . 30.9 tp -44.29 -44.14 7.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.1 mm -53.85 -53.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -63.31 -29.39 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -64.64 -44.11 91.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 88' ' ' HIS . 76.5 mt -67.87 -45.28 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -65.69 -20.56 66.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -97.03 -66.51 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.62 -52.37 61.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' ILE . 41.5 m-70 -106.48 39.14 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.621 0.724 . . . . 0.0 110.862 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.506 ' HB3' ' N ' ' A' ' 19' ' ' SER . 11.7 mttm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.559 0.695 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.1 Cg_endo -69.75 -37.26 9.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 49.0 m-85 -64.61 117.47 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -109.88 151.37 27.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' HD11 ' A' ' 25' ' ' LEU . 48.9 t -83.91 121.05 75.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.542 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.79 2.07 3.88 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 28.3 mt-30 -115.33 -34.77 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 3.2 p -139.77 -175.07 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 t -88.8 35.51 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.744 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 33.7 t80 -85.61 154.26 21.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.96 157.32 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.062 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.506 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -168.49 128.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -74.23 42.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.475 HG13 ' C ' ' A' ' 20' ' ' ALA . 72.2 mt -155.31 128.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -59.88 -60.35 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.32 -38.63 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.3 m120 -56.23 -66.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' A' ' 12' ' ' CYS . 25.7 tp -39.47 -38.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -65.06 -47.84 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -68.27 -38.48 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.744 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 49.6 t60 -64.55 -25.61 68.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.542 HD21 ' HD2' ' A' ' 13' ' ' PRO . 19.4 mt -82.49 -20.34 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -51.82 -44.34 63.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 20.0 pttt -67.8 -25.62 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.428 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 37.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 65.7 m-85 -93.96 109.18 20.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.48 151.53 25.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.6 t -78.43 136.0 37.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.88 22.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.458 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 1.7 m-85 -130.45 -35.42 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.0 p -140.79 -174.99 4.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 t -84.06 32.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -84.81 153.08 23.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.7 p -149.42 147.33 28.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -142.99 165.74 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 tp -96.65 -25.94 15.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.497 ' O ' ' C ' ' A' ' 49' ' ' LYS . 3.6 m -115.54 89.57 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.536 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -30.24 -40.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' A' ' 49' ' ' LYS . . . -43.42 -51.71 6.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -67.29 -45.1 77.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.422 HD22 ' CB ' ' A' ' 37' ' ' PHE . 44.2 tp -45.61 -41.22 9.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -58.55 -43.63 89.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.84 -35.67 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.53 -38.65 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.887 HG23 ' HB2' ' A' ' 60' ' ' HIS . 22.9 mt -78.74 -36.07 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.33 -9.75 59.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.499 ' HG2' HG23 ' A' ' 59' ' ' VAL . 4.0 ptm180 -115.15 -32.78 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 58' ' ' ARG . 89.4 t -98.48 -61.48 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.887 ' HB2' HG23 ' A' ' 56' ' ' ILE . 81.6 m-70 -91.07 41.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 86.8 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.838 0.352 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -98.26 127.96 44.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 16.6 t -64.84 129.15 38.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -83.28 18.04 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.425 ' CE2' ' HD3' ' A' ' 68' ' ' ARG . 57.3 m-85 -119.62 -44.65 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 27.1 p -127.03 22.54 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.1 mptt 38.81 53.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -112.11 120.85 43.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -73.65 148.47 42.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -136.81 178.04 7.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.0 m -106.29 -50.91 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -105.43 106.8 17.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 81' ' ' ILE . 7.8 p -44.31 -34.22 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -57.44 -54.4 47.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.23 -32.68 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 65' ' ' GLN . 62.2 tp -59.81 -40.69 89.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 77' ' ' VAL . 35.7 mm -58.78 -50.8 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.1 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -48.92 -47.48 43.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.714 HG23 ' HB2' ' A' ' 88' ' ' HIS . 22.1 mt -67.31 -35.41 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -71.28 -23.7 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -94.81 -61.61 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.81 -52.18 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.714 ' HB2' HG23 ' A' ' 84' ' ' ILE . 55.8 m-70 -94.36 35.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.412 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 2.4 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 8.3 mtmp? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.55 0.69 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.0 Cg_endo -69.75 -38.65 7.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 63.1 m-85 -70.7 133.03 46.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.06 149.66 48.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 15' ' ' CYS . 42.2 t -83.7 120.17 74.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.709 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.0 Cg_endo -69.79 -2.54 10.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.373 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -109.19 -35.62 6.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.473 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -136.54 -175.43 4.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -89.78 37.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.636 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 39.8 t80 -88.29 156.38 19.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -149.97 149.01 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -145.87 161.7 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.79 -28.25 16.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.4 mt -98.9 143.57 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -64.21 -50.47 67.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.74 -35.87 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.429 ' O ' HG12 ' A' ' 27' ' ' VAL . 9.8 m-20 -55.51 -60.9 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 10' ' ' TYR . 43.5 tp -43.28 -37.03 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -66.99 -54.3 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -59.7 -33.53 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.636 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 56.8 t60 -65.87 -50.6 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.709 HD21 ' HD2' ' A' ' 13' ' ' PRO . 14.2 mt -54.58 -29.39 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -55.5 -17.06 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.551 ' NZ ' ' CB ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -82.0 -20.94 37.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.759 0.314 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 78.0 m-85 -104.19 98.96 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.68 149.4 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.1 t -77.54 136.47 38.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.52 21.79 2.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.434 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.6 m-85 -129.52 -32.92 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.984 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.1 p -144.15 -175.0 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.2 m -83.41 30.86 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -82.26 155.37 24.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.1 p -150.29 153.69 36.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.61 170.09 21.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.65 -27.95 12.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 49' ' ' LYS . 2.1 t -107.37 86.68 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -31.51 -38.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -49.14 -50.29 28.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.553 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -64.28 -43.37 94.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.1 tp -44.82 -44.63 9.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -54.09 -44.39 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.438 HG12 ' HD2' ' A' ' 58' ' ' ARG . 95.7 t -64.41 -38.65 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -54.23 -38.72 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.7 mt -79.36 -26.63 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 4.8 mm-40 -87.6 -9.57 53.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HD2' HG12 ' A' ' 54' ' ' VAL . 7.8 ptm180 -113.49 -39.81 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -90.99 -64.05 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -88.26 38.61 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.83 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -117.61 117.53 29.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.6 t -47.0 126.34 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HD2' ' CE2' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -80.52 12.64 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.416 ' CE2' ' HD2' ' A' ' 68' ' ' ARG . 66.5 m-85 -115.86 -41.16 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.7 p -132.14 26.24 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' CYS . 26.2 mttm 35.06 54.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 54.3 tttt -101.67 122.28 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -77.82 133.57 38.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -128.48 133.18 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 t -61.02 -48.35 82.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -118.97 112.89 20.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.4 p -39.71 -46.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.51 ' N ' HG13 ' A' ' 77' ' ' VAL . 7.2 ptmt -35.78 -44.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.487 ' ND2' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m120 -67.41 -48.26 67.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.6 tp -47.38 -41.43 19.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.3 mm -54.67 -57.01 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -60.64 -46.94 88.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -47.72 -47.69 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' HIS . 96.9 mt -62.71 -51.17 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -60.51 -21.89 62.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -88.7 -66.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.64 -52.1 23.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 84' ' ' ILE . 29.8 m-70 -101.73 42.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HA ' ' C ' ' A' ' 19' ' ' SER . 30.3 mttp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.611 0.719 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 54.2 Cg_endo -69.68 -28.23 25.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 2.3 m-30 -68.5 100.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -92.23 148.17 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -84.21 119.86 73.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.468 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.75 0.74 5.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.234 . . . . 0.0 112.338 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.425 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 24.1 mt-30 -113.05 -37.42 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -135.59 -173.76 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -90.2 37.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 55.1 t80 -90.11 147.75 23.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.31 149.4 49.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.46 ' C ' ' HA ' ' A' ' 8' ' ' LYS . 1.7 t -154.4 171.23 19.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.17 25.03 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 69.0 mt -149.3 115.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -42.71 -52.04 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.14 -43.83 52.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.8 m120 -59.64 -61.11 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.2 tp -44.03 -34.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -67.87 -55.53 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -59.98 -32.54 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.602 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.7 t60 -71.25 -32.54 68.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.468 HD21 ' HD2' ' A' ' 13' ' ' PRO . 26.9 mt -74.98 -29.18 60.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 32.5 mtm180 -45.24 -50.42 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -62.06 -29.97 70.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 55.9 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 mttp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.813 0.339 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.546 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 78.9 m-85 -95.29 105.84 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.98 147.35 28.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.1 138.36 43.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -86.5 21.91 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -130.44 -32.41 1.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -145.04 -175.09 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.3 t -84.1 36.58 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 45' ' ' THR . 47.7 t80 -88.82 159.15 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.0 p -150.79 155.33 39.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.92 143.64 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.3 mt -77.19 -27.63 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 50' ' ' GLY . 94.6 p -109.94 88.07 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -31.75 -37.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -51.14 -50.31 40.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -66.7 -38.96 87.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.482 HD22 ' HB3' ' A' ' 37' ' ' PHE . 18.3 tp -49.58 -32.73 13.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -66.06 -40.79 91.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.72 -36.03 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -54.13 -38.79 65.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 60' ' ' HIS . 33.6 mt -77.09 -29.77 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -82.19 -10.08 59.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.532 ' HG2' HG23 ' A' ' 59' ' ' VAL . 2.4 ptm180 -113.33 -34.56 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 58' ' ' ARG . 97.5 t -95.18 -62.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.52 ' HB2' HG23 ' A' ' 56' ' ' ILE . 52.3 m-70 -93.91 45.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.424 ' CD ' ' HB ' ' A' ' 77' ' ' VAL . 2.1 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -125.57 111.53 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.4 t -47.07 158.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -105.95 -19.19 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.501 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 79.5 m-85 -84.38 -53.33 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.9 p -107.27 18.0 22.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' CYS . 20.5 mmmt 35.63 38.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -86.5 176.7 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 7.7 tttt -119.54 145.1 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 31.7 m-85 -146.83 119.94 8.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.6 m -56.62 -53.85 52.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -99.71 132.01 45.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.424 ' HB ' ' CD ' ' A' ' 65' ' ' GLN . 10.2 p -68.2 -38.67 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -43.87 -50.6 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -63.02 -52.61 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.3 tp -42.56 -44.71 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.2 mm -52.26 -53.85 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -62.16 -48.75 78.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -44.39 -47.08 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.837 HG23 ' HB2' ' A' ' 88' ' ' HIS . 62.4 mt -63.14 -40.45 89.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -72.54 -12.29 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -96.86 -50.63 4.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.64 -53.57 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.837 ' HB2' HG23 ' A' ' 84' ' ' ILE . 47.7 m-70 -89.14 49.25 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.618 0.723 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.466 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 28.2 mttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.567 0.699 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.83 -36.48 10.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 22' ' ' LYS . 41.8 m-85 -70.64 117.53 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -110.69 151.78 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HA ' HD11 ' A' ' 25' ' ' LEU . 52.7 t -82.65 121.21 77.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.45 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.75 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -111.01 -34.57 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 3.1 p -138.41 -174.99 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -89.01 35.41 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.735 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 58.1 t80 -86.57 146.5 26.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.54 137.14 36.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -131.07 143.06 50.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.57 -25.4 61.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 23' ' ' ALA . 55.2 mt -110.06 152.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -69.25 -45.05 70.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -53.75 -54.32 39.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.489 ' O ' HG12 ' A' ' 27' ' ' VAL . 6.0 t-20 -42.17 -46.75 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 10' ' ' TYR . 31.5 tp -55.76 -35.47 66.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 12.0 m120 -66.96 -47.17 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -68.91 -34.11 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.735 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 37.2 t60 -67.43 -25.66 66.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.45 HD21 ' HD2' ' A' ' 13' ' ' PRO . 20.2 mt -81.1 -27.57 35.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.0 mtt85 -47.73 -45.25 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 18.2 pttt -65.38 -34.91 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.0 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.549 ' CB ' HD22 ' A' ' 52' ' ' LEU . 1.9 m-85 -86.25 102.95 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.08 157.24 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -77.23 134.95 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -83.45 15.92 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.537 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 6.7 m-85 -124.16 -36.15 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -140.46 -175.29 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m -84.79 36.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -88.72 156.46 18.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.3 p -151.02 153.95 36.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.8 t -148.88 160.53 43.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.08 33.64 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -165.13 105.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 37' ' ' PHE . 7.5 ptpt -43.03 -47.73 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.85 -51.85 37.6 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -59.53 -46.95 87.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.549 HD22 ' CB ' ' A' ' 37' ' ' PHE . 22.4 tp -44.49 -44.84 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -55.81 -46.62 78.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.17 -41.68 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -51.46 -46.2 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.826 HG23 ' HB2' ' A' ' 60' ' ' HIS . 28.4 mt -75.38 -37.61 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -70.43 -12.06 61.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -113.49 -32.11 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.5 t -98.38 -60.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.826 ' HB2' HG23 ' A' ' 56' ' ' ILE . 30.3 m-70 -101.91 56.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 77' ' ' VAL . 10.7 mt-30 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 66' ' ' HIS . 7.6 p80 -89.88 122.24 32.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 6.5 t -46.77 160.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -96.73 -9.25 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.44 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 2.1 m-85 -105.27 -62.11 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 72' ' ' LYS . 21.4 p -102.42 23.1 12.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.56 38.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.9 ttmm -80.93 129.51 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -71.07 139.52 50.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.475 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 17.9 m-85 -132.91 164.35 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -105.33 -50.13 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -108.59 121.26 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.575 HG13 ' N ' ' A' ' 78' ' ' LYS . 11.2 p -49.68 -49.48 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.575 ' N ' HG13 ' A' ' 77' ' ' VAL . 1.6 mmmp? -36.49 -56.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -59.93 -51.93 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 tp -42.31 -40.02 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.2 mm -63.4 -58.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 25.8 ttmt -56.34 -39.49 72.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.475 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 8.4 t60 -49.09 -54.21 17.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.544 HG23 ' HB2' ' A' ' 88' ' ' HIS . 23.9 mt -55.56 -42.13 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 89' ' ' ASP . 25.6 mtm180 -77.41 -9.37 58.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 82' ' ' LYS . 54.3 m-20 -96.77 -40.54 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.2 -52.84 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.544 ' HB2' HG23 ' A' ' 84' ' ' ILE . 37.1 m-70 -89.33 48.64 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 85' ' ' ARG . 13.9 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.607 0.717 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.4 mttm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.635 0.731 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.4 Cg_endo -69.76 -34.7 14.05 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.536 ' HB3' HD22 ' A' ' 25' ' ' LEU . 44.2 m-85 -67.09 120.55 13.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -111.41 151.35 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 15' ' ' CYS . 52.6 t -85.99 122.06 72.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.59 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.2 Cg_endo -69.79 1.05 4.81 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.531 ' HB2' ' CD2' ' A' ' 32' ' ' HIS . 12.3 mt-30 -112.3 -31.02 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.485 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.7 p -146.79 -175.01 4.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -87.41 35.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.749 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 19.2 t80 -89.16 153.89 20.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.9 158.26 39.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -157.54 132.21 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.46 -22.5 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.061 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.438 HG22 ' H ' ' A' ' 23' ' ' ALA . 5.2 mp -101.13 147.94 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -74.03 -42.58 60.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -55.73 -50.61 69.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -45.6 -40.11 8.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 10' ' ' TYR . 45.1 tp -62.83 -35.89 81.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -69.08 -45.29 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -70.59 -40.21 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.749 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 52.4 t60 -59.49 -34.65 72.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' A' ' 13' ' ' PRO . 22.6 mt -68.2 -28.25 67.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -54.45 -39.5 67.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -60.41 -36.94 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 14' ' ' GLN . 55.4 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -87.85 91.46 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.96 150.46 40.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HA ' HD11 ' A' ' 52' ' ' LEU . 53.4 t -78.62 138.35 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -86.85 18.45 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.6 m-85 -127.44 -34.67 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.2 p -141.66 -174.96 4.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -83.46 32.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -82.81 155.53 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.4 p -152.34 154.95 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 t -153.95 178.65 9.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.17 28.7 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -166.1 106.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -44.34 -50.26 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.22 -46.92 8.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -69.89 -46.39 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' ' 39' ' ' CYS . 16.3 tp -48.66 -40.51 28.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -47.84 83.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.1 t -58.45 -40.63 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -51.73 -38.67 56.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.715 HG23 ' HB2' ' A' ' 60' ' ' HIS . 31.9 mt -79.22 -34.16 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.59 -11.44 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -112.0 -38.62 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.5 t -92.06 -62.89 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.715 ' HB2' HG23 ' A' ' 56' ' ' ILE . 50.0 m-70 -93.5 42.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.508 ' HG2' HG23 ' A' ' 77' ' ' VAL . 3.3 tp60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 17.4 p-80 -109.48 120.92 43.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 t -50.82 127.29 18.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.589 ' HD3' ' CZ ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -82.78 21.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' A' ' 68' ' ' ARG . 24.7 m-85 -121.12 -54.94 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.68 12.17 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp 46.65 49.96 13.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -112.27 117.83 33.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 14.6 ptmt -90.05 136.81 32.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.406 ' HB3' ' OD1' ' A' ' 79' ' ' ASN . 12.0 m-85 -118.54 154.8 31.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -70.46 -52.49 21.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' LYS . 66.3 m-20 -116.68 106.43 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.508 HG23 ' HG2' ' A' ' 65' ' ' GLN . 14.4 p -33.41 -32.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 76' ' ' ASP . 25.7 mtmm -43.44 -55.98 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 80' ' ' LEU . 7.3 p30 -62.07 -48.24 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 65' ' ' GLN . 51.6 tp -45.24 -39.42 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 31.3 mm -56.42 -50.92 70.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -64.67 -43.54 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -50.33 -39.24 45.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.535 HG23 ' HB2' ' A' ' 88' ' ' HIS . 80.6 mt -70.2 -49.62 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -69.78 -11.85 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.84 -37.76 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.48 -52.62 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.535 ' HB2' HG23 ' A' ' 84' ' ' ILE . 37.7 m-70 -99.75 54.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.0 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.494 ' HB3' ' N ' ' A' ' 19' ' ' SER . 15.3 mtmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -28.53 24.91 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.662 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.1 m-30 -70.32 101.95 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -93.07 144.61 25.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -83.76 121.82 76.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.515 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.1 Cg_endo -69.76 1.28 4.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -111.9 -33.45 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 2.4 p -146.2 -175.01 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -86.74 35.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 45.9 t80 -85.56 153.41 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -147.77 151.99 36.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.494 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -170.34 118.16 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -72.46 48.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.461 HG13 ' C ' ' A' ' 20' ' ' ALA . 78.2 mt -155.45 115.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -46.53 -60.78 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.74 -47.96 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.0 m120 -52.27 -67.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 10' ' ' TYR . 22.8 tp -39.02 -40.73 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -64.13 -54.57 31.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -61.06 -36.86 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.732 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 59.6 t60 -65.89 -30.9 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.515 HD21 ' HD2' ' A' ' 13' ' ' PRO . 13.6 mt -75.11 -25.99 58.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -65.94 -40.57 91.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -62.44 -27.44 69.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.885 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.612 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 24.3 m-85 -89.75 92.68 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.9 150.28 44.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.443 ' HA ' HD11 ' A' ' 52' ' ' LEU . 51.8 t -69.37 135.99 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.94 18.45 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.2 m-85 -127.2 -34.48 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -141.07 -177.11 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.9 t -84.71 36.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.422 ' CG ' ' N ' ' A' ' 45' ' ' THR . 16.1 t80 -90.67 157.5 17.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.422 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 19.6 p -148.49 156.55 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.8 t -150.92 153.37 35.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.49 36.59 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.67 107.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.612 ' HD3' ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -39.17 -50.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.16 -59.69 8.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -48.54 -48.44 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.486 HD22 ' CB ' ' A' ' 37' ' ' PHE . 24.4 tp -47.32 -44.71 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -57.16 -49.48 75.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.7 t -53.98 -43.57 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -50.83 -41.46 57.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.812 HG23 ' HB2' ' A' ' 60' ' ' HIS . 48.9 mt -77.92 -36.46 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.34 -9.32 58.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' HG2' HG23 ' A' ' 59' ' ' VAL . 4.9 ptm180 -117.31 -32.97 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 58' ' ' ARG . 63.9 t -95.8 -63.22 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.812 ' HB2' HG23 ' A' ' 56' ' ' ILE . 52.0 m-70 -93.55 42.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.477 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 1.8 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 15.9 p-80 -99.32 115.41 29.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 t -49.11 120.1 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 12.43 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.427 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 40.6 m-85 -110.64 -48.98 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -121.13 23.89 10.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt 38.89 49.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 66' ' ' HIS . 13.8 ttmt -99.8 173.57 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -121.84 126.72 49.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.512 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 9.4 m-85 -127.26 -28.98 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 8.3 t 52.52 25.01 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.504 ' CG ' ' O ' ' A' ' 75' ' ' SER . 17.1 m-20 -164.3 105.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.61 HG13 ' N ' ' A' ' 78' ' ' LYS . 6.6 p -48.84 -55.09 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.61 ' N ' HG13 ' A' ' 77' ' ' VAL . 29.5 mttm -35.35 -60.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.99 -50.09 72.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.477 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 51.0 tp -46.28 -36.31 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 77' ' ' VAL . 47.0 mm -59.92 -63.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -50.07 -42.2 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.512 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 24.3 t60 -57.1 -60.16 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.543 HG23 ' HB2' ' A' ' 88' ' ' HIS . 89.5 mt -52.92 -44.7 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -68.13 -16.07 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.81 -66.66 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.89 -52.22 13.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.543 ' HB2' HG23 ' A' ' 84' ' ' ILE . 47.5 m-70 -91.84 34.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HA ' ' C ' ' A' ' 19' ' ' SER . 8.8 mtpm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.553 0.692 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 54.1 Cg_endo -69.74 -31.64 20.24 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 3.0 m-30 -57.59 99.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 33.1 mmtp -92.79 151.53 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 41.7 t -89.09 120.35 69.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.622 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.8 Cg_endo -69.79 2.37 3.61 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -112.28 -33.6 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 p -142.29 -174.34 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -86.59 34.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.75 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 66.5 t80 -85.55 151.01 24.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -138.09 155.51 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.453 ' C ' ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -160.07 173.6 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.92 -27.21 7.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 23' ' ' ALA . 5.2 mp -100.65 134.99 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' CD ' ' H ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -55.77 -44.01 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -53.13 -49.96 65.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.069 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.547 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.1 t-20 -50.17 -60.21 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.5 tp -46.79 -44.62 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -60.75 -53.2 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -64.1 -31.22 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.75 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.7 t60 -69.21 -35.28 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.622 HD21 ' HD2' ' A' ' 13' ' ' PRO . 10.6 mt -72.88 -20.46 61.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -59.07 -43.09 91.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -65.81 -19.36 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mttt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 38.6 m-85 -90.66 109.12 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.22 155.92 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -82.39 138.15 34.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.3 23.08 1.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -130.55 -36.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 p -142.49 -175.02 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 t -82.6 36.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -87.87 152.04 22.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 p -147.18 152.99 39.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -152.64 156.65 39.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.2 mt -90.45 -27.47 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -100.28 100.68 11.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 6.6 ptpt -39.17 -48.82 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -53.95 -44.1 71.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -61.28 -39.64 91.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.333 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 37' ' ' PHE . 19.3 tp -54.61 -45.26 73.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HG2' ' N ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -56.25 -36.88 69.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.577 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 84.3 t -66.81 -44.3 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -52.06 -39.56 59.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.9 mt -79.01 -32.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 20.0 mm-40 -79.88 -10.56 59.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' HD2' HG12 ' A' ' 54' ' ' VAL . 6.1 ptm180 -112.67 -39.16 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.7 t -88.14 -67.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -88.3 39.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HD2' ' C ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.636 ' HB3' HD22 ' A' ' 80' ' ' LEU . 13.2 mm100 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -106.54 111.03 23.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.03 113.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -69.47 -2.69 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.483 ' CE2' ' HD3' ' A' ' 68' ' ' ARG . 75.7 m-85 -93.97 -64.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.0 p -104.63 25.66 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 36.25 45.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.487 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 12.4 ttmm -94.1 146.07 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -93.33 127.73 39.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.487 ' CE1' ' HG2' ' A' ' 72' ' ' LYS . 27.2 m-85 -129.17 134.09 47.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 m -76.73 -50.14 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.95 133.11 52.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.3 p -66.25 -41.92 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.425 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -42.44 -47.39 4.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -67.44 -50.17 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 65' ' ' GLN . 59.3 tp -45.83 -44.41 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.5 mm -49.1 -54.43 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -60.79 -48.03 83.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -50.36 -47.57 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' HIS . 62.8 mt -61.44 -49.82 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -63.85 -17.68 63.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -90.84 -66.17 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.65 -52.03 14.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 84' ' ' ILE . 22.9 m-70 -99.44 42.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.851 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.1 Cg_endo -69.83 -35.78 11.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.448 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 32.7 m-85 -68.72 127.22 32.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -116.78 150.97 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.622 ' HA ' HD11 ' A' ' 25' ' ' LEU . 43.7 t -81.01 128.38 71.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.73 -11.38 30.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -101.56 -41.6 6.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 7.8 p -132.83 -176.81 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -87.63 34.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 31.1 t80 -82.69 156.69 23.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -148.38 156.53 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.069 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -158.91 115.02 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -45.08 -29.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mt -92.32 142.64 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -71.71 -52.98 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -50.71 -37.05 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -52.91 -61.23 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' A' ' 12' ' ' CYS . 24.6 tp -41.2 -42.88 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.456 ' HA ' HD12 ' A' ' 29' ' ' LEU . 9.8 m-20 -58.58 -51.36 70.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -65.57 -42.09 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.585 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 43.0 t60 -51.89 -34.38 40.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.457 HD21 ' HD2' ' A' ' 13' ' ' PRO . 9.0 mt -70.75 -19.43 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 27' ' ' VAL . 13.3 mmm-85 -57.98 -39.67 78.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -72.73 -18.58 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.925 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 6.3 m-85 -93.98 98.14 10.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.2 150.98 47.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.0 t -73.61 140.1 45.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.22 15.42 5.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.0 m-85 -124.19 -33.34 3.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 p -144.12 -175.38 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -85.0 35.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.434 ' CG ' ' N ' ' A' ' 45' ' ' THR . 51.3 t80 -88.3 159.26 18.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 12.8 p -149.63 150.28 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.72 152.85 42.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -95.21 32.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -168.91 126.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.622 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 4.5 mttm -56.0 -63.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.61 -48.46 3.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -60.11 -55.43 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 37' ' ' PHE . 20.9 tp -43.18 -41.38 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -57.68 -44.73 86.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.32 -42.2 95.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -47.01 -39.46 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.675 HG23 ' HB2' ' A' ' 60' ' ' HIS . 21.3 mt -78.51 -36.51 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.31 -10.0 59.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HG2' HG23 ' A' ' 59' ' ' VAL . 2.7 ptm180 -113.26 -37.82 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' HG2' ' A' ' 58' ' ' ARG . 93.1 t -92.12 -63.19 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.056 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.675 ' HB2' HG23 ' A' ' 56' ' ' ILE . 72.3 m-70 -90.51 37.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.42 ' CB ' HD22 ' A' ' 80' ' ' LEU . 28.5 mt-30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 11.6 p80 -119.05 116.05 25.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.4 t -48.87 156.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.513 ' HD3' ' CD1' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -101.93 -7.1 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.513 ' CD1' ' HD3' ' A' ' 68' ' ' ARG . 8.2 m-85 -100.38 -58.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 71' ' ' LYS . 27.1 p -102.45 16.05 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 70' ' ' CYS . 18.9 mtpt 35.9 45.3 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -100.81 125.43 47.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -79.82 149.14 31.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 75' ' ' SER . 42.2 m-85 -137.78 115.08 11.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 74' ' ' TYR . 84.5 p -34.97 -51.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -119.92 137.33 54.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.86 -39.85 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -39.54 -51.89 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -63.93 -49.32 73.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.42 HD22 ' CB ' ' A' ' 65' ' ' GLN . 40.4 tp -45.36 -41.65 9.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.2 mm -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -62.39 -35.86 80.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -58.58 -39.26 79.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' HIS . 82.4 mt -73.04 -51.62 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -61.3 -21.07 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -97.06 -65.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.36 -52.02 51.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 84' ' ' ILE . 57.3 m-70 -102.83 41.47 1.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.83 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.702 . . . . 0.0 110.835 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 30.9 mttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.0 Cg_endo -69.77 -29.75 23.31 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.566 ' HB3' HD22 ' A' ' 25' ' ' LEU . 42.3 m-85 -77.06 131.23 38.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -118.44 150.71 39.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' CYS . 52.7 t -84.82 123.2 74.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.613 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.78 -4.2 13.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.325 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 29.0 mt-30 -106.56 -37.77 6.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 9.2 p -138.33 -174.7 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -87.41 33.53 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.756 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 49.7 t80 -84.26 143.44 29.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -136.35 137.48 40.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -129.37 143.83 51.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.99 -28.01 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 22' ' ' LYS . 32.1 mt -105.81 155.74 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 21.8 tptp -72.85 -52.17 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.9 -42.46 27.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.065 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' O ' HG12 ' A' ' 27' ' ' VAL . 9.4 t-20 -52.78 -66.22 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 10' ' ' TYR . 35.4 tp -38.63 -41.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 29.6 m-80 -61.92 -44.62 96.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -71.25 -38.65 70.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.756 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 37.9 t60 -64.99 -18.85 65.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD21 ' HD2' ' A' ' 13' ' ' PRO . 37.3 mt -91.01 -23.52 20.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -57.52 -38.91 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -77.25 -14.15 59.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.414 ' HB3' ' CD ' ' A' ' 14' ' ' GLN . 14.6 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.4 mttp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CB ' HD22 ' A' ' 52' ' ' LEU . 4.3 m-85 -93.44 97.9 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.97 152.12 42.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.93 135.95 37.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.72 18.19 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 2.6 m-85 -126.16 -31.87 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -146.04 -175.13 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -83.8 34.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.425 ' CG ' ' N ' ' A' ' 45' ' ' THR . 45.4 t80 -86.24 158.87 19.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.425 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 14.6 p -150.67 153.84 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.491 ' C ' HD22 ' A' ' 47' ' ' LEU . 4.0 t -148.49 173.44 13.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.491 HD22 ' C ' ' A' ' 46' ' ' CYS . 4.3 mm? -117.22 36.87 4.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 p -174.6 105.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -37.94 -48.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.2 -59.88 6.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -54.84 -48.15 73.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.539 HD22 ' CB ' ' A' ' 37' ' ' PHE . 24.6 tp -48.79 -40.19 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.538 ' HG2' ' N ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -60.54 -37.28 80.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.538 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 87.8 t -67.0 -43.81 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' CE1' HG21 ' A' ' 59' ' ' VAL . 36.5 t60 -51.88 -37.89 53.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.06 -34.5 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -77.18 -9.85 59.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -113.81 -42.23 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.409 HG21 ' CE1' ' A' ' 55' ' ' HIS . 59.8 t -85.52 -64.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 19.8 m-70 -95.5 44.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.635 ' HB3' HD22 ' A' ' 80' ' ' LEU . 30.3 mt-30 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 44.1 p-80 -111.1 134.12 52.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.2 t -47.04 157.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.606 ' HD2' ' CD1' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -101.9 -3.57 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.606 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 21.1 m-85 -105.6 -44.78 4.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' LYS . 28.4 p -113.41 15.26 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' CYS . 6.4 mptt 34.76 54.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 66' ' ' HIS . 20.3 tttm -109.53 112.6 24.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 9.0 ptpp? -67.32 147.74 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -133.91 127.16 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.6 t -46.15 -42.44 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -129.94 158.66 38.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 78' ' ' LYS . 12.9 p -70.03 -46.34 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.535 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -34.75 -62.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -53.38 -51.55 62.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 65' ' ' GLN . 56.0 tp -47.38 -39.74 15.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.7 mm -59.73 -54.45 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -63.44 -47.79 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -43.4 -44.52 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.559 ' O ' ' C ' ' A' ' 88' ' ' HIS . 51.8 mt -66.88 -42.32 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 89' ' ' ASP . 8.4 mmm180 -70.69 -12.8 61.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -97.53 -51.6 4.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.77 -53.2 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.559 ' C ' ' O ' ' A' ' 84' ' ' ILE . 15.8 m-70 -105.05 60.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 85' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.423 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 12.6 mttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.563 0.697 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.3 Cg_endo -69.74 -44.17 2.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 32.9 m-85 -64.37 128.99 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -126.67 151.75 47.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 15' ' ' CYS . 50.8 t -86.07 125.61 67.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -11.09 30.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.455 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 6.4 mt-30 -96.47 -41.59 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 12' ' ' CYS . 11.5 p -134.77 177.37 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 t -82.18 40.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 34.9 t80 -89.26 147.64 24.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.46 150.27 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 t -154.21 142.47 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.01 7.79 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.6 mm -124.67 119.47 56.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -53.4 -49.26 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -54.64 -46.59 73.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -46.95 -60.79 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 tp -41.64 -47.07 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.564 ' HA ' HD12 ' A' ' 29' ' ' LEU . 6.5 m-20 -55.96 -51.02 69.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -63.24 -51.66 68.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -44.7 -47.67 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 26' ' ' ASN . 12.9 mt -51.36 -30.5 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -49.42 -29.58 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -73.43 -28.13 61.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.455 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 61.5 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.839 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.6 mttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.828 0.346 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 49' ' ' LYS . 35.2 m-85 -94.62 95.25 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 144.56 54.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.1 t -70.33 139.03 51.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.71 21.34 2.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.3 m-85 -130.83 -32.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.4 p -144.24 -179.31 6.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 m -81.92 38.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -89.07 150.98 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -149.81 149.72 30.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.4 t -150.02 159.6 44.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.78 35.22 1.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.4 t -162.98 106.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 13.9 ptmt -46.77 -51.41 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.59 -53.91 8.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -53.81 -53.5 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 37' ' ' PHE . 22.3 tp -40.54 -47.3 2.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -53.36 -46.22 69.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.0 -41.14 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.403 ' O ' HG23 ' A' ' 59' ' ' VAL . 26.0 t60 -51.48 -39.81 58.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.587 HG23 ' HB2' ' A' ' 60' ' ' HIS . 18.1 mt -78.09 -39.76 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.22 -14.01 62.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' HG2' HG23 ' A' ' 59' ' ' VAL . 5.8 ptm180 -110.33 -37.75 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.429 HG23 ' HG2' ' A' ' 58' ' ' ARG . 63.6 t -90.72 -64.42 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.587 ' HB2' HG23 ' A' ' 56' ' ' ILE . 14.3 m-70 -99.24 54.35 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.551 ' HB3' HD22 ' A' ' 80' ' ' LEU . 17.6 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 26.6 p80 -131.56 111.73 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 27.5 t -46.36 160.25 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -109.85 -18.68 13.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.448 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 45.8 m-85 -77.93 -56.09 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 20.1 p -107.57 -4.62 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 67' ' ' CYS . 39.0 mmtm 65.96 28.23 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 4.3 tptm -79.93 124.86 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -80.36 154.61 27.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.466 ' CE1' ' HG2' ' A' ' 72' ' ' LYS . 48.9 m-85 -151.18 131.61 13.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.4 t -61.12 -57.01 14.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.84 134.4 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 78' ' ' LYS . 9.6 p -60.02 -41.02 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' N ' HG13 ' A' ' 77' ' ' VAL . 7.8 mtpm? -39.42 -55.81 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.1 -52.29 65.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 65' ' ' GLN . 59.5 tp -42.52 -44.51 4.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.4 mm -52.97 -51.19 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -39.96 94.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -47.31 -47.74 25.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.843 HG23 ' HB2' ' A' ' 88' ' ' HIS . 38.2 mt -65.44 -47.66 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 89' ' ' ASP . 32.5 mmt-85 -53.79 -25.23 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -97.81 -66.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.7 62.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.843 ' HB2' HG23 ' A' ' 84' ' ' ILE . 44.2 m-70 -107.58 44.06 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 85' ' ' ARG . 37.6 p-10 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.537 ' HB3' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.78 -44.51 2.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -59.94 101.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -94.46 151.14 19.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 15' ' ' CYS . 43.9 t -81.88 124.92 78.83 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.4 Cg_endo -69.73 -1.45 8.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -109.4 -33.96 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.6 p -141.15 -175.12 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 p -86.88 31.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 69.0 t80 -81.44 156.21 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 8' ' ' LYS . . . -145.78 148.93 33.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.537 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -155.62 118.61 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 8' ' ' LYS . . . -79.0 31.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.454 HG13 ' C ' ' A' ' 20' ' ' ALA . 61.0 mt -152.68 105.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -33.9 -54.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.43 -47.92 18.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.47 ' O ' HG12 ' A' ' 27' ' ' VAL . 44.6 m-20 -55.37 -65.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 10' ' ' TYR . 22.8 tp -41.61 -37.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -65.01 -48.13 75.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -69.64 -28.67 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.678 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 66.2 t60 -70.03 -40.21 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.809 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.412 HD21 ' HD2' ' A' ' 13' ' ' PRO . 12.6 mt -68.37 -18.33 64.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.573 ' CE ' ' CE1' ' A' ' 28' ' ' HIS . 0.7 OUTLIER -65.77 -18.79 65.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' CE ' HD21 ' A' ' 47' ' ' LEU . 5.6 mmtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.808 0.337 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 22.0 m-85 -90.26 107.78 19.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.7 146.35 31.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.688 ' HA ' HD11 ' A' ' 52' ' ' LEU . 47.6 t -69.11 139.89 54.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -86.59 20.05 2.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -128.22 -34.89 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.9 p -140.87 -176.76 4.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.3 p -84.26 33.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -87.41 155.52 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 p -146.55 155.34 42.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.402 ' C ' HD22 ' A' ' 47' ' ' LEU . 2.5 t -147.28 169.89 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.451 HD21 ' CE ' ' A' ' 36' ' ' LYS . 4.0 mm? -109.52 36.03 3.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -172.21 105.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 8.3 pttt -41.08 -47.71 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.29 -51.58 35.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -58.24 -46.71 85.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 39' ' ' CYS . 32.3 tp -44.15 -41.92 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -58.43 -46.79 85.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.9 t -58.33 -40.15 76.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 59' ' ' VAL . 33.2 t60 -52.91 -39.05 62.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 60' ' ' HIS . 23.9 mt -79.51 -30.78 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -77.8 -8.97 58.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -117.41 -38.12 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.417 HG21 ' CE1' ' A' ' 55' ' ' HIS . 71.8 t -88.85 -65.4 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.515 ' HB2' HG23 ' A' ' 56' ' ' ILE . 14.1 m-70 -97.51 48.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' HD22 ' A' ' 80' ' ' LEU . 54.6 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -104.99 110.93 23.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.7 t -47.85 123.65 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.512 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -83.65 25.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -120.68 -44.19 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 5.9 p -129.0 8.71 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? 61.87 31.04 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 7.4 tptm -80.91 123.29 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.93 154.28 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -153.64 138.28 16.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.0 t -76.03 -44.82 37.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.6 123.25 46.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.0 p -50.44 -37.96 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -43.76 -46.66 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.04 -50.25 62.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 65' ' ' GLN . 52.2 tp -44.79 -41.82 7.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.79 -49.47 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -61.75 -42.22 98.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -52.11 -58.84 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 88' ' ' HIS . 27.5 mt -49.52 -48.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -66.22 -12.68 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -95.43 -63.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.71 -50.64 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 84' ' ' ILE . 59.0 m-70 -95.44 46.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 89' ' ' ASP . 8.2 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.706 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 35.9 mtpt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.6 Cg_endo -69.78 -38.22 8.04 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.512 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 35.5 m-85 -69.63 119.47 13.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -117.47 151.22 37.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' CYS . 18.2 t -82.04 117.68 69.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 0.51 5.51 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.709 2.273 . . . . 0.0 112.368 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -111.46 -34.94 5.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.483 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.1 p -136.05 -176.04 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.1 m -89.53 39.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 52.0 t80 -93.5 153.86 18.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.32 148.78 23.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -150.02 161.83 41.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.55 -32.06 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.4 mt -91.6 147.76 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.32 -47.64 33.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.76 -39.82 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.509 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.6 m120 -52.8 -48.23 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -54.7 -34.77 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -67.98 -46.64 70.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -69.68 -31.81 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.628 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 54.4 t60 -68.7 -52.59 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.33 -25.53 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -52.07 -43.47 63.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -55.67 -18.59 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 22.7 m-85 -91.6 95.97 10.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.29 149.26 48.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.74 137.43 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -85.02 20.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -128.94 -34.44 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.0 p -143.21 -175.71 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.2 t -83.96 37.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -89.8 157.26 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 p -150.76 152.63 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.4 t -151.94 155.21 37.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.2 mm? -96.39 38.35 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -164.99 131.04 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 9.0 mtpt -63.45 -56.78 13.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.18 -47.38 55.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.55 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -57.74 -49.49 76.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.7 tp -45.63 -44.06 12.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.2 -52.39 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.489 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 83.3 t -49.73 -44.78 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -51.54 -39.19 57.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.3 mt -79.0 -27.19 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.96 -9.96 58.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.474 ' HG2' HG23 ' A' ' 59' ' ' VAL . 5.8 ptm180 -114.16 -37.88 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.474 HG23 ' HG2' ' A' ' 58' ' ' ARG . 91.5 t -89.73 -64.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -93.17 43.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 13.7 mm100 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.819 0.342 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 14.2 p-80 -112.3 117.83 33.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.0 t -47.85 157.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.529 ' HD3' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -103.13 -18.95 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.529 ' CD1' ' HD3' ' A' ' 68' ' ' ARG . 6.5 m-85 -87.51 -58.68 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 71' ' ' LYS . 29.6 p -99.68 16.92 21.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 70' ' ' CYS . 51.2 mmtt 33.95 39.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 12.9 tttp -103.58 121.14 42.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 0.0 OUTLIER -88.36 144.17 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.546 ' CD1' HD13 ' A' ' 80' ' ' LEU . 10.2 m-85 -120.86 135.03 55.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' TYR . 14.1 t -36.46 -53.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -123.21 151.25 42.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.9 p -63.57 -47.16 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.527 ' N ' HG13 ' A' ' 77' ' ' VAL . 9.8 mmmt -36.8 -55.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -60.29 -52.59 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.546 HD13 ' CD1' ' A' ' 74' ' ' TYR . 57.6 tp -46.26 -44.38 16.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.5 mm -48.98 -55.26 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -61.53 -44.95 96.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -48.64 -41.03 29.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 88' ' ' HIS . 88.7 mt -70.8 -48.6 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -64.89 -20.12 66.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.69 -66.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.57 -53.07 47.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' ILE . 62.9 m-70 -100.97 39.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 69.1 mttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.76 -34.35 14.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.385 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 56.3 m-85 -73.48 117.9 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -113.19 147.49 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 15' ' ' CYS . 22.5 t -81.57 121.37 79.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.722 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.79 -2.96 11.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -108.3 -36.72 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.9 p -138.17 -175.17 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -88.88 36.35 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.762 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 23.8 t80 -87.24 147.86 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.09 156.06 43.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 t -157.4 142.29 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.9 25.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -147.55 140.54 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -64.86 -54.2 34.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.71 -40.42 40.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.402 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.6 m-80 -53.74 -64.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 10' ' ' TYR . 26.5 tp -41.12 -37.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -66.34 -53.11 40.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -61.79 -37.11 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.762 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 55.2 t60 -65.86 -35.9 81.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD21 ' HD2' ' A' ' 13' ' ' PRO . 19.2 mt -68.79 -30.36 68.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -53.03 -32.49 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -71.23 -33.04 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 14.7 mmtt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 12.0 m-85 -88.9 106.56 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.76 136.77 35.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.48 ' HA ' HD11 ' A' ' 52' ' ' LEU . 48.8 t -56.18 131.16 47.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.08 14.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.602 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 18.6 m-85 -124.24 -29.71 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 44' ' ' PHE . 16.8 p -145.58 -175.22 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.5 m -84.67 28.52 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.446 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 29.8 t80 -79.78 151.72 30.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.0 p -143.59 154.05 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.35 173.55 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CD2' ' HE2' ' A' ' 36' ' ' LYS . 90.2 mt -113.58 34.49 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -167.3 124.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -61.03 -53.6 55.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.52 -44.52 22.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -65.62 -50.53 64.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 39' ' ' CYS . 21.3 tp -42.25 -46.35 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -51.87 -50.81 60.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.522 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 59.2 t -51.58 -55.56 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.517 ' CE1' HG11 ' A' ' 59' ' ' VAL . 37.7 t60 -38.28 -47.65 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 60' ' ' HIS . 59.7 mt -69.54 -42.32 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.6 -8.51 54.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 -112.82 -29.79 7.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.591 ' CG1' ' N ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -113.33 -48.61 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.899 ' HB2' HG23 ' A' ' 56' ' ' ILE . 99.6 m-70 -97.03 42.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HB3' HD22 ' A' ' 80' ' ' LEU . 8.6 mm100 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 36.1 p-80 -131.86 112.73 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 3.8 t -46.76 158.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -107.47 -10.15 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 88.1 m-85 -93.57 -44.11 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' LYS . 25.1 p -122.06 20.04 10.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' CYS . 7.2 mptt 35.59 44.43 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -99.99 127.27 46.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' GLN . 28.0 mttp -83.25 142.9 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 26.7 m-85 -126.74 119.33 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 74' ' ' TYR . 13.3 p -37.07 -46.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.4 122.79 28.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.8 p -42.26 -45.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.492 ' N ' HG13 ' A' ' 77' ' ' VAL . 4.3 mmmm -33.29 -50.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -66.71 -49.2 66.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 65' ' ' GLN . 50.2 tp -46.29 -43.99 16.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.0 mm -52.96 -55.78 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -63.28 -46.36 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.488 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 5.8 t60 -45.19 -47.89 12.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 88' ' ' HIS . 75.2 mt -65.23 -40.15 87.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 11.1 mmm180 -63.37 -25.83 68.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -95.71 -66.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.44 65.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.542 ' HB2' HG23 ' A' ' 84' ' ' ILE . 23.2 m-70 -106.94 41.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 26.2 mttm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.74 -37.43 9.23 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.354 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.487 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 57.8 m-85 -71.57 131.77 43.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.76 150.77 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.42 119.27 75.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.3 Cg_endo -69.82 0.46 5.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.496 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 27.0 mt-30 -112.15 -35.63 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.9 p -135.63 -174.7 3.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m -89.74 36.42 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.755 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 60.2 t80 -89.07 155.85 19.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.4 138.34 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 p -130.65 158.61 39.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.26 -37.02 13.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.719 HG22 ' H ' ' A' ' 23' ' ' ALA . 4.3 mp -94.07 139.4 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -56.79 -37.56 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.719 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -68.78 -38.96 80.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.79 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.5 m120 -50.01 -54.69 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 10' ' ' TYR . 33.5 tp -47.75 -41.57 23.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 4.2 m-80 -62.44 -51.67 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.79 HG12 ' O ' ' A' ' 24' ' ' ASN . 2.2 p -61.15 -21.84 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.755 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 35.4 t60 -86.05 -23.37 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' HIS . 13.1 mt -83.51 -23.53 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.523 ' HG2' ' C ' ' A' ' 27' ' ' VAL . 7.9 mmm180 -42.02 -52.81 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -23.08 66.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.496 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 32.3 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 mttm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.88 ' HB2' HD22 ' A' ' 52' ' ' LEU . 2.5 m-85 -86.81 87.47 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.0 138.17 57.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.14 135.61 57.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -82.31 15.63 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.9 m-85 -126.55 -37.63 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -137.64 -176.66 4.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.8 m -83.72 36.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' THR . 21.6 t80 -86.23 158.29 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.426 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.1 p -151.44 152.35 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.456 ' C ' HD22 ' A' ' 47' ' ' LEU . 4.2 t -151.96 171.63 17.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.456 HD22 ' C ' ' A' ' 46' ' ' CYS . 4.1 mm? -114.26 34.68 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.9 t -159.66 126.71 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.575 ' HD3' ' CE1' ' A' ' 37' ' ' PHE . 15.3 mmtp -57.96 -65.36 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.62 -49.3 7.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -55.07 -51.98 64.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.88 HD22 ' HB2' ' A' ' 37' ' ' PHE . 38.1 tp -45.23 -46.11 12.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -57.92 -44.39 86.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.36 -42.43 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -49.2 -42.71 41.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.829 HG23 ' HB2' ' A' ' 60' ' ' HIS . 31.1 mt -76.05 -42.21 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.83 -13.45 61.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.424 ' HG2' HG23 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -110.6 -33.8 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 58' ' ' ARG . 85.5 t -98.2 -61.25 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.829 ' HB2' HG23 ' A' ' 56' ' ' ILE . 32.0 m-70 -99.3 56.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.6 ' OE1' HG23 ' A' ' 77' ' ' VAL . 24.4 mt-30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -98.29 129.24 45.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.71 125.67 25.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.491 ' CZ ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 ppt_? -81.57 20.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CZ ' ' CZ ' ' A' ' 68' ' ' ARG . 98.4 m-85 -123.41 -48.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 71' ' ' LYS . 28.6 p -123.35 24.86 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 70' ' ' CYS . 7.5 mmpt? 37.27 54.33 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -115.26 119.76 37.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -76.41 148.53 37.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -136.7 116.77 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -39.63 -45.18 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.18 136.57 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.6 HG23 ' OE1' ' A' ' 65' ' ' GLN . 7.3 p -63.68 -42.88 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.454 ' N ' HG13 ' A' ' 77' ' ' VAL . 32.2 mtmt -38.89 -53.23 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.02 -50.88 68.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD22 ' CB ' ' A' ' 65' ' ' GLN . 57.8 tp -44.7 -42.39 7.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.5 mm -55.98 -58.88 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -59.17 -46.47 88.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -44.77 -44.55 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 88' ' ' HIS . 37.3 mt -67.63 -50.99 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -63.1 -19.05 64.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.91 -65.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.2 -50.91 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.513 ' HB2' HG23 ' A' ' 84' ' ' ILE . 62.2 m-70 -93.99 36.34 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.592 0.71 . . . . 0.0 110.863 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -43.97 -51.32 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -63.88 96.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.789 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.63 -84.68 1.58 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -106.71 83.22 1.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.935 0.398 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -81.6 162.09 23.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.89 159.36 31.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 50.2 mttt 55.45 48.98 4.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 53.4 Cg_endo -69.83 -32.06 19.01 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.296 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 46.3 m-85 -74.89 117.68 17.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -109.51 152.82 24.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.468 ' HA ' HD11 ' A' ' 25' ' ' LEU . 44.1 t -90.67 119.65 68.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.543 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.81 1.54 4.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.304 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -109.34 -33.25 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 1.8 p -144.87 -175.0 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -87.51 35.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 48.3 t80 -85.88 157.4 20.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -154.33 157.35 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -158.07 166.18 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -101.09 23.17 11.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 20' ' ' ALA . 66.2 mt -152.93 134.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.47 ' CD ' ' H ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -59.29 -53.63 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.67 -49.66 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' HG12 ' A' ' 27' ' ' VAL . 20.5 m-20 -52.85 -49.89 64.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 10' ' ' TYR . 35.0 tp -52.42 -35.88 53.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -67.83 -54.71 16.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -60.4 -34.8 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 59.9 t60 -65.58 -37.52 86.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.543 HD21 ' HD2' ' A' ' 13' ' ' PRO . 31.0 mt -66.31 -29.4 69.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 33' ' ' THR . 62.7 mtp180 -60.15 -34.8 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -63.8 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 49.1 m-70 -61.82 -32.41 72.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 30' ' ' ARG . 29.4 p -43.54 160.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.01 -112.98 1.46 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 7.5 tt0 -91.05 112.16 23.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -120.76 106.93 12.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 49' ' ' LYS . 66.0 m-85 -91.36 106.19 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.06 149.34 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' HA ' HD11 ' A' ' 52' ' ' LEU . 41.1 t -76.29 137.11 39.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.5 22.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.42 ' HB2' ' NE2' ' A' ' 60' ' ' HIS . 3.8 m-85 -130.97 -35.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.6 p -141.97 -176.16 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.8 p -83.14 36.93 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -89.32 155.78 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 p -148.74 152.68 37.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 t -152.92 155.03 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.03 -31.14 22.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.8 t -98.96 112.84 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 25.8 ttmt -52.13 -46.57 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.64 -39.67 54.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -67.59 -49.84 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 28.7 tp -43.68 -46.05 7.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -55.11 -46.03 75.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.8 -41.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.43 ' CE1' HG21 ' A' ' 59' ' ' VAL . 16.4 t60 -51.06 -35.69 35.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.508 HG23 ' HB2' ' A' ' 60' ' ' HIS . 47.9 mt -79.55 -33.88 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -76.9 -9.62 58.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -114.15 -41.06 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 55' ' ' HIS . 70.9 t -86.73 -64.9 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.508 ' HB2' HG23 ' A' ' 56' ' ' ILE . 60.4 m-70 -89.81 35.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 139.87 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.5 mttp 64.62 55.19 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.1 tt -100.94 152.53 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -45.61 104.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -99.23 133.56 43.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -104.15 115.8 31.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.33 120.23 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -75.38 6.31 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -105.93 -52.1 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.4 p -118.97 25.16 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' CYS . 8.7 mmpt? 36.27 47.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -109.07 121.05 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 150.86 39.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -141.11 116.56 10.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.7 m -46.96 -48.52 21.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -113.84 110.73 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 78' ' ' LYS . 8.3 p -44.73 -43.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 77' ' ' VAL . 15.1 mmmt -37.93 -48.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -64.98 -50.36 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.0 tp -43.49 -40.12 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.3 mm -60.08 -57.39 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -56.6 -39.86 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -53.5 -57.61 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 88' ' ' HIS . 89.8 mt -50.35 -42.74 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -71.53 -15.52 62.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -94.93 -64.73 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.78 -52.39 8.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.547 ' HB2' HG23 ' A' ' 84' ' ' ILE . 68.7 m-70 -87.49 37.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -70.28 112.78 13.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 167.26 25.04 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.335 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -80.42 -12.38 59.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -130.18 130.79 45.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 m -72.81 115.48 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.29 -59.33 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -134.45 113.35 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -65.9 116.71 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.16 -140.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 20.9 mtmm 56.24 54.12 8.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.2 Cg_endo -69.72 -39.77 6.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.392 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 60.8 m-85 -72.43 116.72 13.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -110.65 151.05 28.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' HA ' HD11 ' A' ' 25' ' ' LEU . 48.2 t -82.19 121.19 78.54 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.505 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.77 -1.63 8.8 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.741 2.294 . . . . 0.0 112.351 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -110.35 -35.52 6.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.464 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -137.15 -174.98 3.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -90.09 37.35 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.706 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 46.1 t80 -86.88 156.26 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 8' ' ' LYS . . . -150.89 150.51 30.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -146.97 164.36 33.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -104.98 22.59 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 20' ' ' ALA . 79.0 mt -149.56 141.53 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 tppp? -62.69 -52.17 64.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.56 60.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.43 ' O ' HG12 ' A' ' 27' ' ' VAL . 28.4 m-20 -55.12 -68.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 12' ' ' CYS . 23.1 tp -37.31 -41.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 34.8 m-80 -61.99 -50.35 72.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -64.83 -35.6 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.706 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 42.6 t60 -68.2 -28.55 67.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD21 ' HD2' ' A' ' 13' ' ' PRO . 26.7 mt -77.51 -21.57 52.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.835 ' O ' HG23 ' A' ' 33' ' ' THR . 76.1 mtp180 -54.54 -44.6 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -67.07 -18.62 65.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -84.42 20.73 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 30' ' ' ARG . 80.3 p -86.65 147.12 26.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.22 61.85 0.53 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' CG ' ' CE1' ' A' ' 37' ' ' PHE . 7.0 pt-20 -127.05 169.95 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -71.81 97.82 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.455 ' CE1' ' CG ' ' A' ' 35' ' ' GLU . 3.4 m-85 -89.64 108.05 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.52 152.69 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' HD11 ' A' ' 52' ' ' LEU . 40.7 t -72.99 137.13 45.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.54 21.29 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.436 ' HE2' HG21 ' A' ' 63' ' ' ILE . 1.6 m-85 -130.6 -34.73 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.29 -175.07 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -84.26 32.63 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 45' ' ' THR . 50.4 t80 -85.35 159.25 20.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 16.8 p -149.55 154.11 38.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.78 165.54 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.7 mt -110.29 33.15 4.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -172.62 104.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -36.67 -48.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.65 -53.88 9.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -60.56 -47.84 84.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 39' ' ' CYS . 17.3 tp -48.2 -44.38 32.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -57.73 -45.88 85.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.14 -42.74 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -46.9 -41.24 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.997 HG23 ' HB2' ' A' ' 60' ' ' HIS . 29.0 mt -77.15 -39.13 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.49 -11.18 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -115.22 -33.69 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.5 t -98.29 -61.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.997 ' HB2' HG23 ' A' ' 56' ' ' ILE . 77.2 m-70 -92.86 43.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -77.75 150.24 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt 63.77 55.05 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.436 HG21 ' HE2' ' A' ' 41' ' ' TYR . 20.9 tt -130.33 154.36 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -44.47 149.89 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.518 HE22 ' N ' ' A' ' 77' ' ' VAL . 20.4 mt-30 -140.82 122.56 15.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 49.4 p-80 -112.8 103.08 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 17.1 t -46.57 158.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -106.47 -14.9 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.441 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 94.8 m-85 -85.43 -52.08 6.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 71' ' ' LYS . 17.9 p -116.59 23.25 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' CYS . 26.3 mmmt 35.32 35.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' CYS . 26.8 mttm -90.29 140.64 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -88.27 144.67 26.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.469 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 12.5 m-85 -135.46 125.84 26.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 4.5 m -83.22 24.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' SER . 6.2 m-20 -170.4 141.46 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.518 ' N ' HE22 ' A' ' 65' ' ' GLN . 13.3 p -80.71 -43.43 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.486 ' N ' HG13 ' A' ' 77' ' ' VAL . 32.3 mmtm -46.57 -47.42 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -70.75 -44.81 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 65' ' ' GLN . 63.4 tp -48.61 -37.32 17.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 77' ' ' VAL . 43.4 mm -61.14 -56.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -59.68 -48.05 83.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.469 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 6.2 t60 -43.56 -46.02 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.963 HG23 ' HB2' ' A' ' 88' ' ' HIS . 48.0 mt -71.25 -46.71 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -13.45 58.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -97.26 -52.45 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.01 -53.62 3.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.963 ' HB2' HG23 ' A' ' 84' ' ' ILE . 29.6 m-70 -90.62 50.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.6 128.0 65.67 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 134.32 27.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -94.71 97.77 10.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -83.03 42.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 m -92.68 166.6 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.21 78.78 1.34 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -119.55 96.56 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -51.66 109.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.55 -140.5 5.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 41.5 mttm 43.36 53.44 9.62 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.78 -38.0 8.36 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 25' ' ' LEU . 57.6 m-85 -69.14 128.59 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.05 151.3 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' CYS . 48.0 t -85.37 119.04 71.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.621 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.79 0.78 5.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -111.26 -33.29 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -140.59 -175.1 4.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -88.58 37.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.761 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 39.2 t80 -90.13 152.69 21.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.94 151.96 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.5 164.95 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.64 18.95 21.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 76.1 mt -147.33 133.68 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.505 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 19.2 tptt -54.42 -54.68 37.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -48.64 -45.41 38.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.454 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.6 m120 -50.25 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 10' ' ' TYR . 22.4 tp -37.05 -43.9 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 43.1 m-80 -59.98 -51.08 71.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -63.19 -34.91 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.761 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 58.1 t60 -66.99 -40.13 87.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD21 ' HD2' ' A' ' 13' ' ' PRO . 16.5 mt -64.97 -23.29 67.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -58.54 -27.29 64.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.691 ' HB3' HD21 ' A' ' 47' ' ' LEU . 48.2 mttt -76.41 -25.78 54.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -80.58 21.5 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.9 p -109.82 -22.29 11.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.77 -151.37 9.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 14.8 tp10 -82.57 138.4 34.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -119.77 99.71 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.613 ' CZ ' ' HD2' ' A' ' 49' ' ' LYS . 30.6 m-85 -89.19 95.43 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.67 155.69 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.3 t -77.9 138.7 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.66 19.05 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -127.25 -38.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -137.6 -175.28 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.1 t -85.21 34.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -87.51 153.48 21.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.4 p -145.91 156.91 43.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.2 t -153.78 164.45 38.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 31' ' ' LYS . 3.8 mm? -98.66 -14.0 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -117.05 103.25 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -42.62 -37.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.94 -59.85 10.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -52.07 -45.9 64.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.6 tp -45.07 -43.99 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -58.98 -45.07 91.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.67 -38.91 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -51.09 -39.71 56.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.681 HG23 ' HB2' ' A' ' 60' ' ' HIS . 33.1 mt -77.83 -37.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 3.8 mm-40 -74.17 -9.04 58.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -114.34 -35.92 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.6 t -95.0 -64.32 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.681 ' HB2' HG23 ' A' ' 56' ' ' ILE . 63.6 m-70 -88.21 40.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 57' ' ' GLU . 11.3 tppt? -82.22 132.59 35.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt 70.64 56.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.9 tt -105.29 146.76 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -58.37 166.16 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HB3' HD22 ' A' ' 80' ' ' LEU . 12.1 mm-40 -146.01 134.01 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -115.06 112.24 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -46.74 159.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -104.93 -23.61 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.416 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 43.9 m-85 -81.47 -67.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 p -84.84 -13.33 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt 62.16 45.14 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -105.4 127.77 53.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -76.04 145.76 39.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.4 ' HH ' ' CE1' ' A' ' 83' ' ' HIS . 37.8 m-85 -134.58 127.43 31.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.1 p -48.41 -50.61 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -122.26 148.68 44.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.9 -38.38 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -40.53 -64.28 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -51.88 -53.41 41.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 65' ' ' GLN . 64.0 tp -42.51 -45.12 4.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.8 mm -47.85 -61.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -57.97 -48.3 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.4 ' CE1' ' HH ' ' A' ' 74' ' ' TYR . 13.7 t60 -43.35 -46.78 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 88' ' ' HIS . 68.1 mt -67.7 -37.67 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 8.0 mmm180 -69.09 -25.79 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -97.38 -66.05 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.37 -53.05 62.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 84' ' ' ILE . 72.1 m-70 -105.17 39.89 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 85' ' ' ARG . 4.3 p-10 -53.31 120.42 20.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 8.04 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 58.29 36.87 25.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 92' ' ' ASP . 2.1 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.5 p -66.76 147.54 53.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -165.97 138.27 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.43 141.99 6.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 p -95.99 163.76 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 t -56.26 119.45 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.583 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -87.28 -142.49 7.54 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' HB3' ' N ' ' A' ' 19' ' ' SER . 22.3 mtmt -128.12 88.52 52.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.701 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -36.77 10.14 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.6 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.4 m-30 -66.01 98.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.88 151.15 19.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' CYS . 53.1 t -84.82 123.26 74.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.8 0.45 5.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -110.22 -32.96 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 17' ' ' TYR . 6.3 p -144.56 -174.95 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -87.8 39.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 62.7 t80 -88.36 158.58 18.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -151.27 153.56 35.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.505 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -170.27 113.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -55.28 -28.48 53.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 24' ' ' ASN . 22.1 mt -77.0 123.1 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 7.6 tptt -58.39 -50.5 73.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.29 70.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.6 m120 -53.32 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 10' ' ' TYR . 28.6 tp -38.81 -42.69 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 21.2 m-80 -61.01 -53.25 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -62.85 -36.5 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 48.8 t60 -64.61 -29.52 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.43 HD21 ' HD2' ' A' ' 13' ' ' PRO . 77.1 mt -78.23 -18.42 55.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 56.5 mtp180 -70.15 -35.89 74.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -67.75 -29.61 68.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -62.73 -34.95 78.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.555 ' O ' HD21 ' A' ' 47' ' ' LEU . 30.2 p -59.44 176.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.06 -173.0 39.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 1.4 tp10 -79.41 139.36 37.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -119.95 100.68 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 10.9 m-85 -89.11 106.59 18.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.29 155.96 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -80.22 140.33 36.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -87.47 19.94 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 60' ' ' HIS . 2.6 m-85 -127.74 -39.59 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -138.17 -174.58 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.5 m -83.25 32.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -84.16 152.92 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.2 p -146.91 153.01 39.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.02 143.46 22.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -76.89 -20.99 55.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m -112.9 102.46 10.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -44.28 -47.93 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.22 -50.72 9.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -63.66 -48.33 77.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.1 tp -41.86 -42.14 2.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.49 -50.0 73.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.511 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 94.3 t -54.58 -44.57 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -50.36 -36.48 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.747 HG23 ' HB2' ' A' ' 60' ' ' HIS . 31.2 mt -80.63 -36.32 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.71 -13.99 62.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -110.73 -38.62 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 64.7 t -90.28 -63.96 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.747 ' HB2' HG23 ' A' ' 56' ' ' ILE . 33.5 m-70 -97.3 50.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' CD ' ' HD2' ' A' ' 62' ' ' LYS . 0.6 OUTLIER -83.95 108.48 16.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.423 ' HD2' ' CD ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER 61.6 55.21 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.8 tt -101.87 152.69 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -107.81 122.04 45.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.686 ' HB3' HD22 ' A' ' 80' ' ' LEU . 33.1 mm-40 -82.46 87.72 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -88.79 119.88 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -56.56 121.12 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 3.77 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.29 -60.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' LYS . 22.0 p -110.57 24.47 12.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.6 OUTLIER 36.0 49.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -109.44 124.48 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -77.71 150.14 34.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -140.04 125.1 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 t -51.34 -61.02 2.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.63 128.87 54.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.8 -33.02 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -43.78 -54.51 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.02 -52.13 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 65' ' ' GLN . 55.5 tp -41.6 -42.7 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.4 -55.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -61.24 -47.93 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -47.47 -45.26 25.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.814 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.494 HG23 ' HB2' ' A' ' 88' ' ' HIS . 65.7 mt -65.9 -48.09 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.8 mtp85 -70.25 -11.42 60.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.43 -53.76 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.95 -52.6 3.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.494 ' HB2' HG23 ' A' ' 84' ' ' ILE . 70.7 m-70 -88.42 49.6 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.44 122.46 72.01 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.618 0.723 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 120.6 7.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -88.58 81.15 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -150.8 131.28 13.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.861 0.362 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -74.71 133.29 42.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.26 -144.71 16.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m 56.81 47.94 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.89 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -59.66 -75.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 20' ' ' ALA . . . 159.9 134.65 1.71 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 12.6 mtmt -118.9 81.39 19.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.569 0.699 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.73 -33.29 17.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.395 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.852 ' HB3' HD22 ' A' ' 25' ' ' LEU . 59.7 m-85 -71.97 105.74 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -94.03 149.99 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' CYS . 50.1 t -83.95 124.14 74.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.73 0.34 5.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -111.37 -30.94 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 9.7 p -148.21 -175.38 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -86.79 38.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.674 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 48.1 t80 -89.33 145.96 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.498 ' HB1' ' CB ' ' A' ' 8' ' ' LYS . . . -136.03 145.99 46.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.477 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -142.34 119.79 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.451 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -55.83 -29.22 59.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.5 145.03 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.0 tttp -63.32 -53.74 47.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -42.32 -61.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.463 ' O ' HG12 ' A' ' 27' ' ' VAL . 8.0 t-20 -37.73 -60.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.852 HD22 ' HB3' ' A' ' 10' ' ' TYR . 21.5 tp -41.93 -41.72 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 12.2 m120 -61.75 -48.62 79.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -67.0 -38.4 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.674 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.0 t60 -60.69 -31.42 70.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.422 HD21 ' HD2' ' A' ' 13' ' ' PRO . 31.6 mt -73.95 -21.2 60.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.3 -35.18 79.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -72.78 -13.22 61.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -88.49 23.49 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.8 p -111.19 -178.9 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 42.29 -136.01 3.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -124.69 153.81 41.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.21 97.44 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.516 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 9.5 m-85 -88.45 106.29 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.82 152.31 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.4 t -72.95 139.47 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -86.95 12.62 10.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.439 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 3.4 m-85 -121.51 -31.1 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.3 p -145.85 -177.22 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -83.52 36.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 45' ' ' THR . 29.7 t80 -87.43 157.77 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.41 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.0 p -152.24 154.13 35.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 t -152.3 160.06 43.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -100.23 30.92 3.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.4 t -157.99 109.06 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 37' ' ' PHE . 3.5 ttpm? -48.8 -43.44 38.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.25 -49.71 75.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -58.95 -44.68 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.6 tp -45.32 -45.69 12.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -53.89 -50.81 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.49 -46.32 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.462 ' CE1' HG21 ' A' ' 59' ' ' VAL . 51.9 t60 -48.57 -42.49 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.423 HG23 ' HB2' ' A' ' 60' ' ' HIS . 49.2 mt -79.33 -26.03 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' C ' ' HB2' ' A' ' 61' ' ' LYS . 19.2 mt-10 -82.18 -9.06 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -119.72 -33.0 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.462 HG21 ' CE1' ' A' ' 55' ' ' HIS . 61.1 t -91.32 -65.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 23.5 m-70 -96.63 43.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HB2' ' C ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -90.99 128.17 36.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 tttp 63.81 55.04 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 tt -88.18 151.16 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' GLN . 32.8 mttm -86.95 77.32 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HB3' HD22 ' A' ' 80' ' ' LEU . 1.2 tp60 -35.94 135.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -104.29 130.3 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.9 t -73.11 118.92 16.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.657 ' NH1' HD11 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -73.1 4.36 4.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 63.5 m-85 -104.42 -46.6 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.5 p -128.33 30.29 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 32.2 47.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -101.76 127.55 48.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -81.43 138.57 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.43 ' CD1' HD13 ' A' ' 80' ' ' LEU . 24.0 m-85 -133.63 114.29 13.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' TYR . 2.9 m -37.51 -48.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.52 150.51 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 78' ' ' LYS . 8.1 p -75.43 -41.76 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -41.31 -60.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -53.95 -50.58 66.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 65' ' ' GLN . 57.3 tp -44.91 -45.81 10.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.0 mm -46.78 -58.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -59.25 -49.3 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -43.29 -37.22 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.657 HD11 ' NH1' ' A' ' 68' ' ' ARG . 24.8 mt -72.22 -41.52 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -72.12 -12.67 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -98.04 -45.43 6.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.88 -53.89 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.602 ' HB2' HG23 ' A' ' 84' ' ' ILE . 57.7 m-70 -95.43 51.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.38 124.04 87.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 101.5 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.616 2.21 . . . . 0.0 112.342 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -85.14 -11.55 54.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m -60.09 154.39 19.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.785 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -159.6 175.9 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.34 145.72 13.41 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -105.55 78.42 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -123.31 162.09 23.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.31 -179.03 2.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 49.5 mttm 55.91 54.76 9.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.74 -41.86 3.93 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.521 ' HB3' HD22 ' A' ' 25' ' ' LEU . 53.8 m-85 -68.32 120.34 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -112.1 150.47 30.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 15' ' ' CYS . 38.9 t -83.95 118.96 72.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.661 0.744 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.0 Cg_endo -69.75 -3.0 11.12 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -109.19 -37.7 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -134.64 -175.33 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.8 m -90.31 38.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.751 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 41.3 t80 -90.57 155.95 18.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -150.19 148.89 29.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.1 170.89 15.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.96 -32.76 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.111 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.7 mt -92.85 147.91 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -70.14 -50.71 37.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.03 -33.51 52.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.424 ' O ' HG12 ' A' ' 27' ' ' VAL . 18.3 m-20 -57.64 -64.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 10' ' ' TYR . 40.8 tp -40.32 -36.52 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' HA ' HD12 ' A' ' 29' ' ' LEU . 37.1 m-80 -66.26 -50.23 64.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -65.8 -34.99 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.751 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 52.9 t60 -64.87 -34.62 78.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.536 HD21 ' HD2' ' A' ' 13' ' ' PRO . 9.9 mt -70.26 -22.76 62.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -59.51 -24.38 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -78.7 -28.52 45.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 92.0 m-70 -82.28 22.41 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 47' ' ' LEU . 72.8 p -98.29 -174.64 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.81 31.91 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 14.1 mt-10 -159.48 145.17 15.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.39 . . . . 0.0 110.901 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HE2' HD21 ' A' ' 47' ' ' LEU . 20.8 mmtt -110.77 99.4 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 49' ' ' LYS . 21.7 m-85 -96.56 95.1 7.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.84 143.8 54.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 52' ' ' LEU . 53.6 t -64.9 138.35 58.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -85.26 18.07 2.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.1 m-85 -127.01 -32.35 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.51 -175.0 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 t -83.95 36.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 45' ' ' THR . 25.8 t80 -86.27 157.9 19.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.417 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 16.9 p -151.97 154.27 35.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.1 t -153.08 160.86 42.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 47' ' ' LEU . 2.2 mm? -99.26 30.83 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.1 m -158.0 143.34 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 37' ' ' PHE . 12.2 mttt -75.68 -49.17 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.65 -43.72 91.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -62.42 -50.36 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD22 ' CB ' ' A' ' 37' ' ' PHE . 14.7 tp -42.44 -44.53 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -59.03 -50.79 72.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.503 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 31.7 t -51.69 -42.8 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.401 ' CE1' HG21 ' A' ' 59' ' ' VAL . 37.6 t60 -51.16 -41.94 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mt -76.95 -22.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -86.07 -10.42 54.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 12.4 ptt85 -114.66 -37.72 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 69.5 t -88.43 -65.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -95.96 43.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -77.3 106.51 9.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 12.1 tppt? 75.06 57.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.409 HG23 ' OE1' ' A' ' 65' ' ' GLN . 9.2 tt -59.71 132.39 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -59.46 137.71 57.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HB3' HD22 ' A' ' 80' ' ' LEU . 22.3 mm100 -116.53 121.31 41.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -112.4 132.37 55.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.0 t -58.89 158.82 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -105.8 -11.03 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.565 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 50.8 m-85 -88.9 -46.19 9.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 10.5 p -119.3 18.44 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? 40.64 42.37 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.464 ' HG2' ' CE2' ' A' ' 74' ' ' TYR . 10.1 tptt -89.38 112.71 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -74.77 130.16 38.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CE2' ' HG2' ' A' ' 72' ' ' LYS . 32.7 m-85 -128.58 116.78 20.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -51.58 -52.62 45.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -102.25 135.88 43.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 78' ' ' LYS . 15.0 p -66.24 -40.69 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' N ' HG13 ' A' ' 77' ' ' VAL . 3.9 mppt? -42.85 -46.71 5.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -66.35 -52.27 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 65' ' ' GLN . 30.9 tp -44.29 -44.14 7.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.1 mm -53.85 -53.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -63.31 -29.39 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -64.64 -44.11 91.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 88' ' ' HIS . 76.5 mt -67.87 -45.28 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -65.69 -20.56 66.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -97.03 -66.51 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.62 -52.37 61.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' ILE . 41.5 m-70 -106.48 39.14 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 91' ' ' GLN . 1.5 p30 -45.78 126.34 6.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.621 0.724 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 13.47 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' A' ' 89' ' ' ASP . 8.9 mt-30 64.94 38.96 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -71.51 177.1 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -95.23 125.49 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.29 -133.97 1.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -91.44 45.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 p -157.17 161.43 39.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.931 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -179.99 150.24 9.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' HB3' ' N ' ' A' ' 19' ' ' SER . 11.7 mttm -126.43 91.21 48.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.559 0.695 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.1 Cg_endo -69.75 -37.26 9.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 49.0 m-85 -64.61 117.47 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -109.88 151.37 27.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' HD11 ' A' ' 25' ' ' LEU . 48.9 t -83.91 121.05 75.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.79 2.07 3.88 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 28.3 mt-30 -115.33 -34.77 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 3.2 p -139.77 -175.07 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 t -88.8 35.51 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.744 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 33.7 t80 -85.61 154.26 21.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.96 157.32 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.062 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.506 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -168.49 128.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.931 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -74.23 42.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.475 HG13 ' C ' ' A' ' 20' ' ' ALA . 72.2 mt -155.31 128.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -59.88 -60.35 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.32 -38.63 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.3 m120 -56.23 -66.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' A' ' 12' ' ' CYS . 25.7 tp -39.47 -38.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -65.06 -47.84 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -68.27 -38.48 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.744 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 49.6 t60 -64.55 -25.61 68.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.542 HD21 ' HD2' ' A' ' 13' ' ' PRO . 19.4 mt -82.49 -20.34 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -51.82 -44.34 63.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 20.0 pttt -67.8 -25.62 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.428 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 37.5 m-70 -75.53 -35.78 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.9 p -58.29 168.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.58 20.08 2.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -106.7 153.65 22.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -84.15 101.54 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 65.7 m-85 -93.96 109.18 20.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.48 151.53 25.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.6 t -78.43 136.0 37.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.88 22.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.458 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 1.7 m-85 -130.45 -35.42 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.0 p -140.79 -174.99 4.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 t -84.06 32.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -84.81 153.08 23.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.7 p -149.42 147.33 28.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -142.99 165.74 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 tp -96.65 -25.94 15.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.497 ' O ' ' C ' ' A' ' 49' ' ' LYS . 3.6 m -115.54 89.57 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.536 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -30.24 -40.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' A' ' 49' ' ' LYS . . . -43.42 -51.71 6.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -67.29 -45.1 77.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD22 ' CB ' ' A' ' 37' ' ' PHE . 44.2 tp -45.61 -41.22 9.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -58.55 -43.63 89.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.84 -35.67 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.53 -38.65 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.887 HG23 ' HB2' ' A' ' 60' ' ' HIS . 22.9 mt -78.74 -36.07 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.33 -9.75 59.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.499 ' HG2' HG23 ' A' ' 59' ' ' VAL . 4.0 ptm180 -115.15 -32.78 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 58' ' ' ARG . 89.4 t -98.48 -61.48 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.887 ' HB2' HG23 ' A' ' 56' ' ' ILE . 81.6 m-70 -91.07 41.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -85.69 151.03 24.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? 61.11 54.96 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.3 tt -129.56 146.61 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.162 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.83 150.63 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 86.8 mm-40 -120.52 127.39 52.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -98.26 127.96 44.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 16.6 t -64.84 129.15 38.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -83.28 18.04 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.425 ' CE2' ' HD3' ' A' ' 68' ' ' ARG . 57.3 m-85 -119.62 -44.65 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 27.1 p -127.03 22.54 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.1 mptt 38.81 53.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -112.11 120.85 43.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -73.65 148.47 42.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -136.81 178.04 7.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.0 m -106.29 -50.91 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -105.43 106.8 17.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 81' ' ' ILE . 7.8 p -44.31 -34.22 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -57.44 -54.4 47.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.23 -32.68 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 65' ' ' GLN . 62.2 tp -59.81 -40.69 89.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 77' ' ' VAL . 35.7 mm -58.78 -50.8 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.1 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -48.92 -47.48 43.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.714 HG23 ' HB2' ' A' ' 88' ' ' HIS . 22.1 mt -67.31 -35.41 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -71.28 -23.7 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -94.81 -61.61 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.81 -52.18 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.714 ' HB2' HG23 ' A' ' 84' ' ' ILE . 55.8 m-70 -94.36 35.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.412 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 2.4 p-10 -63.32 112.17 6.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 109.12 2.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.363 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -108.19 82.88 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.6 t0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -82.94 118.79 23.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.806 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -132.29 132.51 43.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.39 127.36 2.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -128.83 119.35 24.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -149.96 118.37 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.76 -142.26 13.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 8.3 mtmp? 60.68 54.56 3.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.55 0.69 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.0 Cg_endo -69.75 -38.65 7.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 63.1 m-85 -70.7 133.03 46.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.06 149.66 48.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 15' ' ' CYS . 42.2 t -83.7 120.17 74.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.709 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.0 Cg_endo -69.79 -2.54 10.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.373 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -109.19 -35.62 6.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -136.54 -175.43 4.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -89.78 37.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.636 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 39.8 t80 -88.29 156.38 19.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -149.97 149.01 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -145.87 161.7 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.79 -28.25 16.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.4 mt -98.9 143.57 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -64.21 -50.47 67.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.74 -35.87 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.429 ' O ' HG12 ' A' ' 27' ' ' VAL . 9.8 m-20 -55.51 -60.9 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 10' ' ' TYR . 43.5 tp -43.28 -37.03 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -66.99 -54.3 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -59.7 -33.53 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.636 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 56.8 t60 -65.87 -50.6 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.709 HD21 ' HD2' ' A' ' 13' ' ' PRO . 14.2 mt -54.58 -29.39 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -55.5 -17.06 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.551 ' NZ ' ' CB ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -82.0 -20.94 37.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -88.12 21.84 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.6 p -100.34 175.74 5.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.32 -175.14 7.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.97 113.58 7.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -144.93 110.88 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 78.0 m-85 -104.19 98.96 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.68 149.4 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.1 t -77.54 136.47 38.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.52 21.79 2.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.434 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.6 m-85 -129.52 -32.92 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.984 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.1 p -144.15 -175.0 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.2 m -83.41 30.86 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -82.26 155.37 24.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.1 p -150.29 153.69 36.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.61 170.09 21.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.65 -27.95 12.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 49' ' ' LYS . 2.1 t -107.37 86.68 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -31.51 -38.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -49.14 -50.29 28.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.553 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -64.28 -43.37 94.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.1 tp -44.82 -44.63 9.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -54.09 -44.39 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.438 HG12 ' HD2' ' A' ' 58' ' ' ARG . 95.7 t -64.41 -38.65 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -54.23 -38.72 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.7 mt -79.36 -26.63 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 4.8 mm-40 -87.6 -9.57 53.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HD2' HG12 ' A' ' 54' ' ' VAL . 7.8 ptm180 -113.49 -39.81 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -90.99 -64.05 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -88.26 38.61 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.83 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -78.88 120.73 23.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.2 tttm 75.0 57.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.1 tp -83.35 134.32 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' GLN . 16.3 pttp -100.09 49.1 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.9 tp-100 -36.8 139.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -117.61 117.53 29.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.6 t -47.0 126.34 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HD2' ' CE2' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -80.52 12.64 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.416 ' CE2' ' HD2' ' A' ' 68' ' ' ARG . 66.5 m-85 -115.86 -41.16 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.7 p -132.14 26.24 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' CYS . 26.2 mttm 35.06 54.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 54.3 tttt -101.67 122.28 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -77.82 133.57 38.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -128.48 133.18 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 t -61.02 -48.35 82.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -118.97 112.89 20.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.4 p -39.71 -46.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.51 ' N ' HG13 ' A' ' 77' ' ' VAL . 7.2 ptmt -35.78 -44.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.487 ' ND2' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m120 -67.41 -48.26 67.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.6 tp -47.38 -41.43 19.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.3 mm -54.67 -57.01 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -60.64 -46.94 88.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -47.72 -47.69 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' HIS . 96.9 mt -62.71 -51.17 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -60.51 -21.89 62.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -88.7 -66.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.64 -52.1 23.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 84' ' ' ILE . 29.8 m-70 -101.73 42.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -45.99 129.98 7.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -179.53 3.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 62.24 42.3 9.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 m -74.0 -49.31 24.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -68.23 164.85 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.41 178.67 16.13 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -167.89 158.94 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.92 0.391 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 t -57.98 -58.46 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.47 133.27 2.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HA ' ' C ' ' A' ' 19' ' ' SER . 30.3 mttp 61.09 54.72 3.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.611 0.719 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 54.2 Cg_endo -69.68 -28.23 25.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 2.3 m-30 -68.5 100.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -92.23 148.17 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -84.21 119.86 73.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.468 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.75 0.74 5.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.234 . . . . 0.0 112.338 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.425 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 24.1 mt-30 -113.05 -37.42 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -135.59 -173.76 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -90.2 37.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 55.1 t80 -90.11 147.75 23.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.31 149.4 49.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.46 ' C ' ' HA ' ' A' ' 8' ' ' LYS . 1.7 t -154.4 171.23 19.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.17 25.03 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 69.0 mt -149.3 115.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -42.71 -52.04 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.14 -43.83 52.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.8 m120 -59.64 -61.11 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.2 tp -44.03 -34.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -67.87 -55.53 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -59.98 -32.54 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.602 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.7 t60 -71.25 -32.54 68.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.468 HD21 ' HD2' ' A' ' 13' ' ' PRO . 26.9 mt -74.98 -29.18 60.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.734 ' O ' HG23 ' A' ' 33' ' ' THR . 32.5 mtm180 -45.24 -50.42 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -62.06 -29.97 70.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 55.9 m-70 -73.96 -18.48 60.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 30' ' ' ARG . 44.4 p -48.69 175.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 131.81 153.53 7.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.594 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 2.2 tp10 -33.52 118.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 34' ' ' GLY . 16.3 mttp -123.29 107.77 12.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.594 ' CZ ' ' HG2' ' A' ' 35' ' ' GLU . 78.9 m-85 -95.29 105.84 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.98 147.35 28.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.1 138.36 43.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -86.5 21.91 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -130.44 -32.41 1.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -145.04 -175.09 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.3 t -84.1 36.58 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 45' ' ' THR . 47.7 t80 -88.82 159.15 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.0 p -150.79 155.33 39.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.92 143.64 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.3 mt -77.19 -27.63 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 50' ' ' GLY . 94.6 p -109.94 88.07 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -31.75 -37.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -51.14 -50.31 40.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -66.7 -38.96 87.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.482 HD22 ' HB3' ' A' ' 37' ' ' PHE . 18.3 tp -49.58 -32.73 13.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -66.06 -40.79 91.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.72 -36.03 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -54.13 -38.79 65.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 60' ' ' HIS . 33.6 mt -77.09 -29.77 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -82.19 -10.08 59.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.532 ' HG2' HG23 ' A' ' 59' ' ' VAL . 2.4 ptm180 -113.33 -34.56 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 58' ' ' ARG . 97.5 t -95.18 -62.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.52 ' HB2' HG23 ' A' ' 56' ' ' ILE . 52.3 m-70 -93.91 45.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 122.39 32.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? 74.44 57.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.8 tt -119.0 153.86 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.32 93.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.424 ' CD ' ' HB ' ' A' ' 77' ' ' VAL . 2.1 mp0 -62.24 118.22 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -125.57 111.53 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.4 t -47.07 158.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -105.95 -19.19 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.501 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 79.5 m-85 -84.38 -53.33 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.9 p -107.27 18.0 22.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' CYS . 20.5 mmmt 35.63 38.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -86.5 176.7 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 7.7 tttt -119.54 145.1 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 31.7 m-85 -146.83 119.94 8.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.6 m -56.62 -53.85 52.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -99.71 132.01 45.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.424 ' HB ' ' CD ' ' A' ' 65' ' ' GLN . 10.2 p -68.2 -38.67 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -43.87 -50.6 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -63.02 -52.61 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.3 tp -42.56 -44.71 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.2 mm -52.26 -53.85 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -62.16 -48.75 78.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -44.39 -47.08 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.837 HG23 ' HB2' ' A' ' 88' ' ' HIS . 62.4 mt -63.14 -40.45 89.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -72.54 -12.29 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -96.86 -50.63 4.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.64 -53.57 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.837 ' HB2' HG23 ' A' ' 84' ' ' ILE . 47.7 m-70 -89.14 49.25 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.32 124.4 71.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.618 0.723 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 174.95 8.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -105.43 79.23 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 m -133.2 150.17 51.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -56.91 138.24 54.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.819 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.83 155.0 36.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 p -80.52 105.19 11.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.3 p -129.85 110.16 11.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.91 -116.5 4.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 28.2 mttt 63.32 52.95 1.6 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.699 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.83 -36.48 10.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 22' ' ' LYS . 41.8 m-85 -70.64 117.53 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -110.69 151.78 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HA ' HD11 ' A' ' 25' ' ' LEU . 52.7 t -82.65 121.21 77.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.45 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.75 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -111.01 -34.57 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 3.1 p -138.41 -174.99 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -89.01 35.41 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.735 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 58.1 t80 -86.57 146.5 26.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.54 137.14 36.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -131.07 143.06 50.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.57 -25.4 61.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 23' ' ' ALA . 55.2 mt -110.06 152.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -69.25 -45.05 70.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -53.75 -54.32 39.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.489 ' O ' HG12 ' A' ' 27' ' ' VAL . 6.0 t-20 -42.17 -46.75 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 10' ' ' TYR . 31.5 tp -55.76 -35.47 66.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 12.0 m120 -66.96 -47.17 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -68.91 -34.11 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.735 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 37.2 t60 -67.43 -25.66 66.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.45 HD21 ' HD2' ' A' ' 13' ' ' PRO . 20.2 mt -81.1 -27.57 35.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 33' ' ' THR . 35.0 mtt85 -47.73 -45.25 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 18.2 pttt -65.38 -34.91 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' THR . 38.8 m-70 -65.66 -30.06 70.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 30' ' ' ARG . 61.2 p -36.24 -40.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.66 111.51 3.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -83.92 140.93 31.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.94 0.4 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -105.98 99.66 9.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.549 ' CB ' HD22 ' A' ' 52' ' ' LEU . 1.9 m-85 -86.25 102.95 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.08 157.24 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -77.23 134.95 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -83.45 15.92 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.537 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 6.7 m-85 -124.16 -36.15 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -140.46 -175.29 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m -84.79 36.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -88.72 156.46 18.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.3 p -151.02 153.95 36.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.8 t -148.88 160.53 43.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.08 33.64 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -165.13 105.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 37' ' ' PHE . 7.5 ptpt -43.03 -47.73 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.85 -51.85 37.6 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -59.53 -46.95 87.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.549 HD22 ' CB ' ' A' ' 37' ' ' PHE . 22.4 tp -44.49 -44.84 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -55.81 -46.62 78.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.17 -41.68 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -51.46 -46.2 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.826 HG23 ' HB2' ' A' ' 60' ' ' HIS . 28.4 mt -75.38 -37.61 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -70.43 -12.06 61.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -113.49 -32.11 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.5 t -98.38 -60.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.826 ' HB2' HG23 ' A' ' 56' ' ' ILE . 30.3 m-70 -101.91 56.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.23 113.54 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 mttm 63.12 55.3 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.7 tt -105.52 139.25 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -123.04 93.44 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 77' ' ' VAL . 10.7 mt-30 -68.89 77.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 66' ' ' HIS . 7.6 p80 -89.88 122.24 32.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 6.5 t -46.77 160.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -96.73 -9.25 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.44 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 2.1 m-85 -105.27 -62.11 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 72' ' ' LYS . 21.4 p -102.42 23.1 12.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.56 38.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.9 ttmm -80.93 129.51 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -71.07 139.52 50.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.475 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 17.9 m-85 -132.91 164.35 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -105.33 -50.13 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -108.59 121.26 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.575 HG13 ' N ' ' A' ' 78' ' ' LYS . 11.2 p -49.68 -49.48 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.575 ' N ' HG13 ' A' ' 77' ' ' VAL . 1.6 mmmp? -36.49 -56.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -59.93 -51.93 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 tp -42.31 -40.02 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.2 mm -63.4 -58.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 25.8 ttmt -56.34 -39.49 72.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.475 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 8.4 t60 -49.09 -54.21 17.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.544 HG23 ' HB2' ' A' ' 88' ' ' HIS . 23.9 mt -55.56 -42.13 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 89' ' ' ASP . 25.6 mtm180 -77.41 -9.37 58.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 82' ' ' LYS . 54.3 m-20 -96.77 -40.54 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.2 -52.84 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.544 ' HB2' HG23 ' A' ' 84' ' ' ILE . 37.1 m-70 -89.33 48.64 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 85' ' ' ARG . 13.9 t70 -90.15 116.6 66.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.607 0.717 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 92.84 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.661 2.241 . . . . 0.0 112.32 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -116.29 112.56 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -137.97 158.73 43.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.937 0.399 . . . . 0.0 110.8 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -92.29 145.54 24.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.66 106.37 0.57 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -69.46 136.33 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.826 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -112.78 130.06 56.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' O ' ' CD ' ' A' ' 9' ' ' PRO . . . 166.66 155.76 9.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -105.56 73.37 0.26 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 7' ' ' GLY . 53.4 Cg_endo -69.76 -34.7 14.05 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.536 ' HB3' HD22 ' A' ' 25' ' ' LEU . 44.2 m-85 -67.09 120.55 13.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -111.41 151.35 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 15' ' ' CYS . 52.6 t -85.99 122.06 72.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.59 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.2 Cg_endo -69.79 1.05 4.81 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.531 ' HB2' ' CD2' ' A' ' 32' ' ' HIS . 12.3 mt-30 -112.3 -31.02 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.485 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.7 p -146.79 -175.01 4.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -87.41 35.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.749 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 19.2 t80 -89.16 153.89 20.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.9 158.26 39.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -157.54 132.21 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.46 -22.5 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.061 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.438 HG22 ' H ' ' A' ' 23' ' ' ALA . 5.2 mp -101.13 147.94 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -74.03 -42.58 60.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -55.73 -50.61 69.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -45.6 -40.11 8.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 10' ' ' TYR . 45.1 tp -62.83 -35.89 81.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -69.08 -45.29 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -70.59 -40.21 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.749 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 52.4 t60 -59.49 -34.65 72.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' A' ' 13' ' ' PRO . 22.6 mt -68.2 -28.25 67.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 34' ' ' GLY . 95.9 mtt-85 -54.45 -39.5 67.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -60.41 -36.94 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 14' ' ' GLN . 55.4 m-70 -66.0 -19.55 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.15 -70.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' ARG . . . -104.83 119.2 6.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 36' ' ' LYS . 28.1 tp10 -66.43 158.78 28.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 1.3 mmpt? -119.62 94.61 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -87.85 91.46 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.96 150.46 40.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HA ' HD11 ' A' ' 52' ' ' LEU . 53.4 t -78.62 138.35 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -86.85 18.45 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.6 m-85 -127.44 -34.67 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.2 p -141.66 -174.96 4.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -83.46 32.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -82.81 155.53 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.4 p -152.34 154.95 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 t -153.95 178.65 9.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.17 28.7 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -166.1 106.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -44.34 -50.26 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.22 -46.92 8.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -69.89 -46.39 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' ' 39' ' ' CYS . 16.3 tp -48.66 -40.51 28.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -47.84 83.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.1 t -58.45 -40.63 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -51.73 -38.67 56.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.715 HG23 ' HB2' ' A' ' 60' ' ' HIS . 31.9 mt -79.22 -34.16 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.59 -11.44 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -112.0 -38.62 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.5 t -92.06 -62.89 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.715 ' HB2' HG23 ' A' ' 56' ' ' ILE . 50.0 m-70 -93.5 42.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.58 125.22 29.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt 62.26 54.99 2.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.0 tt -89.31 155.1 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 69.63 6.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.508 ' HG2' HG23 ' A' ' 77' ' ' VAL . 3.3 tp60 -54.31 111.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 17.4 p-80 -109.48 120.92 43.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 t -50.82 127.29 18.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.589 ' HD3' ' CZ ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -82.78 21.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' A' ' 68' ' ' ARG . 24.7 m-85 -121.12 -54.94 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.68 12.17 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp 46.65 49.96 13.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -112.27 117.83 33.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 14.6 ptmt -90.05 136.81 32.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.406 ' HB3' ' OD1' ' A' ' 79' ' ' ASN . 12.0 m-85 -118.54 154.8 31.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -70.46 -52.49 21.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' LYS . 66.3 m-20 -116.68 106.43 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.508 HG23 ' HG2' ' A' ' 65' ' ' GLN . 14.4 p -33.41 -32.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 76' ' ' ASP . 25.7 mtmm -43.44 -55.98 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 80' ' ' LEU . 7.3 p30 -62.07 -48.24 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 65' ' ' GLN . 51.6 tp -45.24 -39.42 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 31.3 mm -56.42 -50.92 70.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -64.67 -43.54 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -50.33 -39.24 45.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.535 HG23 ' HB2' ' A' ' 88' ' ' HIS . 80.6 mt -70.2 -49.62 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -69.78 -11.85 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.84 -37.76 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.48 -52.62 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.535 ' HB2' HG23 ' A' ' 84' ' ' ILE . 37.7 m-70 -99.75 54.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -81.53 119.72 76.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 179.48 3.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.658 2.239 . . . . 0.0 112.397 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' ASP . 0.9 OUTLIER -79.25 45.3 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' GLN . 31.2 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -128.05 151.51 49.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -106.4 140.51 39.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.27 79.51 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -110.93 134.92 52.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.926 0.393 . . . . 0.0 110.804 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 t -140.87 171.57 13.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.77 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -176.89 -87.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.494 ' HB3' ' N ' ' A' ' 19' ' ' SER . 15.3 mtmm -118.03 85.3 23.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -28.53 24.91 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.662 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.1 m-30 -70.32 101.95 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -93.07 144.61 25.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -83.76 121.82 76.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.515 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.1 Cg_endo -69.76 1.28 4.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -111.9 -33.45 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 2.4 p -146.2 -175.01 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -86.74 35.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 45.9 t80 -85.56 153.41 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -147.77 151.99 36.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.494 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -170.34 118.16 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -72.46 48.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.461 HG13 ' C ' ' A' ' 20' ' ' ALA . 78.2 mt -155.45 115.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -46.53 -60.78 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.74 -47.96 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.0 m120 -52.27 -67.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 10' ' ' TYR . 22.8 tp -39.02 -40.73 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -64.13 -54.57 31.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -61.06 -36.86 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.732 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 59.6 t60 -65.89 -30.9 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.515 HD21 ' HD2' ' A' ' 13' ' ' PRO . 13.6 mt -75.11 -25.99 58.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -65.94 -40.57 91.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -62.44 -27.44 69.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -65.13 -33.91 77.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.4 p -44.78 158.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.65 -145.37 17.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' HG3' ' CE2' ' A' ' 37' ' ' PHE . 3.9 pt-20 -83.71 129.41 34.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -130.87 102.24 5.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.612 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 24.3 m-85 -89.75 92.68 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.9 150.28 44.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.443 ' HA ' HD11 ' A' ' 52' ' ' LEU . 51.8 t -69.37 135.99 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.94 18.45 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.2 m-85 -127.2 -34.48 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -141.07 -177.11 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.9 t -84.71 36.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' CG ' ' N ' ' A' ' 45' ' ' THR . 16.1 t80 -90.67 157.5 17.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.422 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 19.6 p -148.49 156.55 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.8 t -150.92 153.37 35.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.49 36.59 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.67 107.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.612 ' HD3' ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -39.17 -50.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.16 -59.69 8.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -48.54 -48.44 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.486 HD22 ' CB ' ' A' ' 37' ' ' PHE . 24.4 tp -47.32 -44.71 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -57.16 -49.48 75.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.7 t -53.98 -43.57 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -50.83 -41.46 57.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.812 HG23 ' HB2' ' A' ' 60' ' ' HIS . 48.9 mt -77.92 -36.46 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.34 -9.32 58.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' HG2' HG23 ' A' ' 59' ' ' VAL . 4.9 ptm180 -117.31 -32.97 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 58' ' ' ARG . 63.9 t -95.8 -63.22 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.812 ' HB2' HG23 ' A' ' 56' ' ' ILE . 52.0 m-70 -93.55 42.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -81.01 141.04 34.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? 62.0 55.25 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.7 tt -101.07 140.96 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -84.71 79.81 9.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.477 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 1.8 tt0 -59.32 109.58 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 15.9 p-80 -99.32 115.41 29.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 t -49.11 120.1 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 12.43 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.427 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 40.6 m-85 -110.64 -48.98 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -121.13 23.89 10.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt 38.89 49.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 66' ' ' HIS . 13.8 ttmt -99.8 173.57 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -121.84 126.72 49.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.512 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 9.4 m-85 -127.26 -28.98 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 8.3 t 52.52 25.01 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.504 ' CG ' ' O ' ' A' ' 75' ' ' SER . 17.1 m-20 -164.3 105.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.61 HG13 ' N ' ' A' ' 78' ' ' LYS . 6.6 p -48.84 -55.09 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.61 ' N ' HG13 ' A' ' 77' ' ' VAL . 29.5 mttm -35.35 -60.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.99 -50.09 72.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.477 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 51.0 tp -46.28 -36.31 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 77' ' ' VAL . 47.0 mm -59.92 -63.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -50.07 -42.2 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.512 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 24.3 t60 -57.1 -60.16 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.543 HG23 ' HB2' ' A' ' 88' ' ' HIS . 89.5 mt -52.92 -44.7 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -68.13 -16.07 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.81 -66.66 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.89 -52.22 13.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.543 ' HB2' HG23 ' A' ' 84' ' ' ILE . 47.5 m-70 -91.84 34.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -56.67 111.23 3.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 91' ' ' GLN . 53.5 Cg_endo -69.76 97.22 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 90' ' ' PRO . 9.6 mm100 33.18 44.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 m -96.74 123.0 40.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -144.66 113.01 6.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.59 60.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -77.08 136.0 38.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -150.05 163.06 39.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.88 -123.46 1.91 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HA ' ' C ' ' A' ' 19' ' ' SER . 8.8 mtpm? 55.67 54.97 9.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.553 0.692 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 54.1 Cg_endo -69.74 -31.64 20.24 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 3.0 m-30 -57.59 99.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 33.1 mmtp -92.79 151.53 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 41.7 t -89.09 120.35 69.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.622 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.8 Cg_endo -69.79 2.37 3.61 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -112.28 -33.6 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 p -142.29 -174.34 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -86.59 34.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.75 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 66.5 t80 -85.55 151.01 24.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -138.09 155.51 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.453 ' C ' ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -160.07 173.6 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.92 -27.21 7.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 23' ' ' ALA . 5.2 mp -100.65 134.99 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' CD ' ' H ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -55.77 -44.01 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -53.13 -49.96 65.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.069 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.547 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.1 t-20 -50.17 -60.21 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.5 tp -46.79 -44.62 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -60.75 -53.2 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -64.1 -31.22 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.75 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.7 t60 -69.21 -35.28 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.622 HD21 ' HD2' ' A' ' 13' ' ' PRO . 10.6 mt -72.88 -20.46 61.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 33' ' ' THR . 87.1 mtt-85 -59.07 -43.09 91.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -65.81 -19.36 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.549 ' HD1' HD11 ' A' ' 47' ' ' LEU . 54.1 m-70 -84.76 24.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 30' ' ' ARG . 27.1 p -91.6 146.9 23.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.03 -165.77 22.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.415 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 5.7 tp10 -49.19 121.13 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.967 0.413 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -115.78 105.16 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.587 ' CZ ' ' HG2' ' A' ' 35' ' ' GLU . 38.6 m-85 -90.66 109.12 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.22 155.92 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -82.39 138.15 34.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.3 23.08 1.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -130.55 -36.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 p -142.49 -175.02 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 t -82.6 36.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -87.87 152.04 22.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 p -147.18 152.99 39.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -152.64 156.65 39.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.549 HD11 ' HD1' ' A' ' 32' ' ' HIS . 68.2 mt -90.45 -27.47 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -100.28 100.68 11.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 6.6 ptpt -39.17 -48.82 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -53.95 -44.1 71.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -61.28 -39.64 91.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.333 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 37' ' ' PHE . 19.3 tp -54.61 -45.26 73.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HG2' ' N ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -56.25 -36.88 69.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.577 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 84.3 t -66.81 -44.3 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -52.06 -39.56 59.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.9 mt -79.01 -32.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 20.0 mm-40 -79.88 -10.56 59.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' HD2' HG12 ' A' ' 54' ' ' VAL . 6.1 ptm180 -112.67 -39.16 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.7 t -88.14 -67.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -88.3 39.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HD2' ' C ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -80.46 122.53 27.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 mttm 63.81 55.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.9 tt -90.76 141.43 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -89.47 105.5 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.636 ' HB3' HD22 ' A' ' 80' ' ' LEU . 13.2 mm100 -60.75 113.89 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -106.54 111.03 23.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.03 113.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -69.47 -2.69 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.483 ' CE2' ' HD3' ' A' ' 68' ' ' ARG . 75.7 m-85 -93.97 -64.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.0 p -104.63 25.66 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 36.25 45.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.487 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 12.4 ttmm -94.1 146.07 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -93.33 127.73 39.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.487 ' CE1' ' HG2' ' A' ' 72' ' ' LYS . 27.2 m-85 -129.17 134.09 47.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 m -76.73 -50.14 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.95 133.11 52.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.3 p -66.25 -41.92 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.425 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -42.44 -47.39 4.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -67.44 -50.17 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 65' ' ' GLN . 59.3 tp -45.83 -44.41 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.5 mm -49.1 -54.43 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -60.79 -48.03 83.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -50.36 -47.57 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' HIS . 62.8 mt -61.44 -49.82 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -63.85 -17.68 63.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -90.84 -66.17 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.65 -52.03 14.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 84' ' ' ILE . 22.9 m-70 -99.44 42.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -53.57 126.69 48.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.7 68.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.641 2.227 . . . . 0.0 112.36 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -94.11 80.99 4.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -126.07 109.06 11.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 m -98.46 -44.98 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.8 -126.53 2.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.58 164.78 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -114.48 81.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -119.86 173.38 15.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.99 89.89 47.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.1 Cg_endo -69.83 -35.78 11.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.448 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 32.7 m-85 -68.72 127.22 32.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -116.78 150.97 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.622 ' HA ' HD11 ' A' ' 25' ' ' LEU . 43.7 t -81.01 128.38 71.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.73 -11.38 30.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -101.56 -41.6 6.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 7.8 p -132.83 -176.81 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -87.63 34.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 31.1 t80 -82.69 156.69 23.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -148.38 156.53 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.069 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -158.91 115.02 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -45.08 -29.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mt -92.32 142.64 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -71.71 -52.98 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -50.71 -37.05 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -52.91 -61.23 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' A' ' 12' ' ' CYS . 24.6 tp -41.2 -42.88 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.456 ' HA ' HD12 ' A' ' 29' ' ' LEU . 9.8 m-20 -58.58 -51.36 70.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -65.57 -42.09 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.585 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 43.0 t60 -51.89 -34.38 40.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.457 HD21 ' HD2' ' A' ' 13' ' ' PRO . 9.0 mt -70.75 -19.43 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 27' ' ' VAL . 13.3 mmm-85 -57.98 -39.67 78.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -72.73 -18.58 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -78.01 12.06 1.97 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -174.39 169.28 3.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' N ' ' OG1' ' A' ' 33' ' ' THR . . . 71.85 -157.22 52.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.496 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -128.74 137.56 51.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.941 0.401 . . . . 0.0 110.856 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -127.93 99.87 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 6.3 m-85 -93.98 98.14 10.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.2 150.98 47.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.0 t -73.61 140.1 45.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.22 15.42 5.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.0 m-85 -124.19 -33.34 3.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 p -144.12 -175.38 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -85.0 35.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.434 ' CG ' ' N ' ' A' ' 45' ' ' THR . 51.3 t80 -88.3 159.26 18.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 12.8 p -149.63 150.28 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.72 152.85 42.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -95.21 32.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -168.91 126.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.622 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 4.5 mttm -56.0 -63.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.61 -48.46 3.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -60.11 -55.43 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 37' ' ' PHE . 20.9 tp -43.18 -41.38 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -57.68 -44.73 86.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.32 -42.2 95.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -47.01 -39.46 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.675 HG23 ' HB2' ' A' ' 60' ' ' HIS . 21.3 mt -78.51 -36.51 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.31 -10.0 59.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HG2' HG23 ' A' ' 59' ' ' VAL . 2.7 ptm180 -113.26 -37.82 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' HG2' ' A' ' 58' ' ' ARG . 93.1 t -92.12 -63.19 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.056 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.675 ' HB2' HG23 ' A' ' 56' ' ' ILE . 72.3 m-70 -90.51 37.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' CD ' ' HG3' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -78.76 134.75 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HG3' ' CD ' ' A' ' 61' ' ' LYS . 4.9 mtpm? 62.15 55.24 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.9 tt -104.27 137.97 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -49.88 -179.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.42 ' CB ' HD22 ' A' ' 80' ' ' LEU . 28.5 mt-30 -147.33 149.73 33.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 11.6 p80 -119.05 116.05 25.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.4 t -48.87 156.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.513 ' HD3' ' CD1' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -101.93 -7.1 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.513 ' CD1' ' HD3' ' A' ' 68' ' ' ARG . 8.2 m-85 -100.38 -58.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 71' ' ' LYS . 27.1 p -102.45 16.05 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 70' ' ' CYS . 18.9 mtpt 35.9 45.3 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -100.81 125.43 47.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -79.82 149.14 31.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 75' ' ' SER . 42.2 m-85 -137.78 115.08 11.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 74' ' ' TYR . 84.5 p -34.97 -51.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -119.92 137.33 54.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.86 -39.85 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -39.54 -51.89 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -63.93 -49.32 73.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.42 HD22 ' CB ' ' A' ' 65' ' ' GLN . 40.4 tp -45.36 -41.65 9.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.2 mm -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -62.39 -35.86 80.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -58.58 -39.26 79.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' HIS . 82.4 mt -73.04 -51.62 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -61.3 -21.07 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -97.06 -65.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.36 -52.02 51.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 84' ' ' ILE . 57.3 m-70 -102.83 41.47 1.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.83 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -53.84 125.65 47.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.702 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.433 ' HG2' ' CG ' ' A' ' 92' ' ' ASP . 54.1 Cg_endo -69.73 -169.35 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -65.69 -14.7 61.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.433 ' CG ' ' HG2' ' A' ' 90' ' ' PRO . 2.3 p30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 p -103.33 -60.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -121.01 81.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.55 81.63 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -150.41 156.38 41.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -112.15 111.84 23.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.7 -149.72 31.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 30.9 mttt 61.88 53.52 2.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.0 Cg_endo -69.77 -29.75 23.31 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.566 ' HB3' HD22 ' A' ' 25' ' ' LEU . 42.3 m-85 -77.06 131.23 38.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -118.44 150.71 39.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' CYS . 52.7 t -84.82 123.2 74.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.613 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.78 -4.2 13.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.325 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 29.0 mt-30 -106.56 -37.77 6.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 9.2 p -138.33 -174.7 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -87.41 33.53 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.756 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 49.7 t80 -84.26 143.44 29.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -136.35 137.48 40.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -129.37 143.83 51.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.99 -28.01 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 22' ' ' LYS . 32.1 mt -105.81 155.74 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 21.8 tptp -72.85 -52.17 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.9 -42.46 27.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.065 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' O ' HG12 ' A' ' 27' ' ' VAL . 9.4 t-20 -52.78 -66.22 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 10' ' ' TYR . 35.4 tp -38.63 -41.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 29.6 m-80 -61.92 -44.62 96.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -71.25 -38.65 70.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.756 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 37.9 t60 -64.99 -18.85 65.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD21 ' HD2' ' A' ' 13' ' ' PRO . 37.3 mt -91.01 -23.52 20.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -57.52 -38.91 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -77.25 -14.15 59.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.414 ' HB3' ' CD ' ' A' ' 14' ' ' GLN . 14.6 m-70 -82.13 22.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.0 p -120.14 170.54 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.62 -154.24 16.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 11.6 tt0 -56.55 117.49 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -95.69 104.62 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CB ' HD22 ' A' ' 52' ' ' LEU . 4.3 m-85 -93.44 97.9 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.97 152.12 42.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.93 135.95 37.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.72 18.19 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 2.6 m-85 -126.16 -31.87 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -146.04 -175.13 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -83.8 34.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.425 ' CG ' ' N ' ' A' ' 45' ' ' THR . 45.4 t80 -86.24 158.87 19.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.425 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 14.6 p -150.67 153.84 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.491 ' C ' HD22 ' A' ' 47' ' ' LEU . 4.0 t -148.49 173.44 13.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.491 HD22 ' C ' ' A' ' 46' ' ' CYS . 4.3 mm? -117.22 36.87 4.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 p -174.6 105.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -37.94 -48.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.2 -59.88 6.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -54.84 -48.15 73.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.539 HD22 ' CB ' ' A' ' 37' ' ' PHE . 24.6 tp -48.79 -40.19 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.538 ' HG2' ' N ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -60.54 -37.28 80.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.538 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 87.8 t -67.0 -43.81 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' CE1' HG21 ' A' ' 59' ' ' VAL . 36.5 t60 -51.88 -37.89 53.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.06 -34.5 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -77.18 -9.85 59.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -113.81 -42.23 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.409 HG21 ' CE1' ' A' ' 55' ' ' HIS . 59.8 t -85.52 -64.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 19.8 m-70 -95.5 44.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 102.91 7.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER 74.77 56.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.5 tt -60.87 135.43 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -40.02 157.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.635 ' HB3' HD22 ' A' ' 80' ' ' LEU . 30.3 mt-30 -128.69 97.62 4.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 44.1 p-80 -111.1 134.12 52.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.2 t -47.04 157.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.606 ' HD2' ' CD1' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -101.9 -3.57 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.606 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 21.1 m-85 -105.6 -44.78 4.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' LYS . 28.4 p -113.41 15.26 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' CYS . 6.4 mptt 34.76 54.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 66' ' ' HIS . 20.3 tttm -109.53 112.6 24.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 9.0 ptpp? -67.32 147.74 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -133.91 127.16 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.6 t -46.15 -42.44 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -129.94 158.66 38.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 78' ' ' LYS . 12.9 p -70.03 -46.34 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.535 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -34.75 -62.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -53.38 -51.55 62.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 65' ' ' GLN . 56.0 tp -47.38 -39.74 15.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.7 mm -59.73 -54.45 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -63.44 -47.79 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -43.4 -44.52 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.559 ' O ' ' C ' ' A' ' 88' ' ' HIS . 51.8 mt -66.88 -42.32 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 89' ' ' ASP . 8.4 mmm180 -70.69 -12.8 61.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -97.53 -51.6 4.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.77 -53.2 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.559 ' C ' ' O ' ' A' ' 84' ' ' ILE . 15.8 m-70 -105.05 60.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 85' ' ' ARG . 0.1 OUTLIER -72.11 122.36 87.15 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 178.39 4.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 70.46 42.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -98.83 171.0 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 110.837 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -70.5 80.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.06 -114.05 3.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -81.53 81.45 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 m -129.43 176.68 7.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.56 -146.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.423 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 12.6 mttp 62.1 54.85 2.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.697 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.3 Cg_endo -69.74 -44.17 2.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 32.9 m-85 -64.37 128.99 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -126.67 151.75 47.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 15' ' ' CYS . 50.8 t -86.07 125.61 67.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -11.09 30.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.455 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 6.4 mt-30 -96.47 -41.59 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 12' ' ' CYS . 11.5 p -134.77 177.37 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 t -82.18 40.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 34.9 t80 -89.26 147.64 24.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.46 150.27 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 t -154.21 142.47 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.01 7.79 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.6 mm -124.67 119.47 56.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -53.4 -49.26 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -54.64 -46.59 73.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -46.95 -60.79 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 tp -41.64 -47.07 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.564 ' HA ' HD12 ' A' ' 29' ' ' LEU . 6.5 m-20 -55.96 -51.02 69.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -63.24 -51.66 68.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -44.7 -47.67 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 26' ' ' ASN . 12.9 mt -51.36 -30.5 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -49.42 -29.58 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -73.43 -28.13 61.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.455 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 61.5 m-70 -80.1 21.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.8 p -101.25 171.1 7.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.57 55.97 2.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -133.7 169.92 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.967 0.413 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -89.34 98.72 11.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 49' ' ' LYS . 35.2 m-85 -94.62 95.25 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 144.56 54.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.1 t -70.33 139.03 51.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.71 21.34 2.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.3 m-85 -130.83 -32.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.4 p -144.24 -179.31 6.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 m -81.92 38.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -89.07 150.98 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -149.81 149.72 30.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.4 t -150.02 159.6 44.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.78 35.22 1.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.4 t -162.98 106.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 13.9 ptmt -46.77 -51.41 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.59 -53.91 8.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -53.81 -53.5 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 37' ' ' PHE . 22.3 tp -40.54 -47.3 2.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -53.36 -46.22 69.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.0 -41.14 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.403 ' O ' HG23 ' A' ' 59' ' ' VAL . 26.0 t60 -51.48 -39.81 58.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.587 HG23 ' HB2' ' A' ' 60' ' ' HIS . 18.1 mt -78.09 -39.76 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.22 -14.01 62.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' HG2' HG23 ' A' ' 59' ' ' VAL . 5.8 ptm180 -110.33 -37.75 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.429 HG23 ' HG2' ' A' ' 58' ' ' ARG . 63.6 t -90.72 -64.42 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.587 ' HB2' HG23 ' A' ' 56' ' ' ILE . 14.3 m-70 -99.24 54.35 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 148.19 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 40.65 55.02 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.4 tt -74.05 150.17 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -100.43 122.06 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.551 ' HB3' HD22 ' A' ' 80' ' ' LEU . 17.6 mm-40 -101.08 138.91 37.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 26.6 p80 -131.56 111.73 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 27.5 t -46.36 160.25 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -109.85 -18.68 13.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.448 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 45.8 m-85 -77.93 -56.09 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 20.1 p -107.57 -4.62 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 67' ' ' CYS . 39.0 mmtm 65.96 28.23 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 4.3 tptm -79.93 124.86 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -80.36 154.61 27.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.466 ' CE1' ' HG2' ' A' ' 72' ' ' LYS . 48.9 m-85 -151.18 131.61 13.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.4 t -61.12 -57.01 14.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.84 134.4 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 78' ' ' LYS . 9.6 p -60.02 -41.02 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' N ' HG13 ' A' ' 77' ' ' VAL . 7.8 mtpm? -39.42 -55.81 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.1 -52.29 65.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 65' ' ' GLN . 59.5 tp -42.52 -44.51 4.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.4 mm -52.97 -51.19 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -39.96 94.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -47.31 -47.74 25.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.843 HG23 ' HB2' ' A' ' 88' ' ' HIS . 38.2 mt -65.44 -47.66 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 89' ' ' ASP . 32.5 mmt-85 -53.79 -25.23 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -97.81 -66.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.7 62.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.843 ' HB2' HG23 ' A' ' 84' ' ' ILE . 44.2 m-70 -107.58 44.06 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.415 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 37.6 p-10 -48.79 105.96 0.56 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 89' ' ' ASP . 53.4 Cg_endo -69.83 135.9 31.44 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 92' ' ' ASP . 56.2 mm-40 -91.08 84.59 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLN . 18.9 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -107.57 140.83 39.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.382 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -172.49 124.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.18 76.68 0.39 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.8 m -60.89 139.91 57.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -142.66 164.72 29.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . 127.76 163.91 11.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.537 ' HB3' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -148.31 105.08 3.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.78 -44.51 2.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -59.94 101.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -94.46 151.14 19.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 15' ' ' CYS . 43.9 t -81.88 124.92 78.83 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.4 Cg_endo -69.73 -1.45 8.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -109.4 -33.96 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.6 p -141.15 -175.12 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 p -86.88 31.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 69.0 t80 -81.44 156.21 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 8' ' ' LYS . . . -145.78 148.93 33.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.537 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -155.62 118.61 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 8' ' ' LYS . . . -79.0 31.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.454 HG13 ' C ' ' A' ' 20' ' ' ALA . 61.0 mt -152.68 105.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -33.9 -54.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.43 -47.92 18.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.47 ' O ' HG12 ' A' ' 27' ' ' VAL . 44.6 m-20 -55.37 -65.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 10' ' ' TYR . 22.8 tp -41.61 -37.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -65.01 -48.13 75.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -69.64 -28.67 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.678 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 66.2 t60 -70.03 -40.21 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.809 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD21 ' HD2' ' A' ' 13' ' ' PRO . 12.6 mt -68.37 -18.33 64.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.573 ' CE ' ' CE1' ' A' ' 28' ' ' HIS . 0.7 OUTLIER -65.77 -18.79 65.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -84.16 21.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.44 152.8 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.53 177.23 19.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.89 164.17 26.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' CE ' HD21 ' A' ' 47' ' ' LEU . 5.6 mmtp -97.67 98.25 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 22.0 m-85 -90.26 107.78 19.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.7 146.35 31.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.688 ' HA ' HD11 ' A' ' 52' ' ' LEU . 47.6 t -69.11 139.89 54.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -86.59 20.05 2.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -128.22 -34.89 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.9 p -140.87 -176.76 4.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.3 p -84.26 33.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -87.41 155.52 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 p -146.55 155.34 42.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.402 ' C ' HD22 ' A' ' 47' ' ' LEU . 2.5 t -147.28 169.89 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.451 HD21 ' CE ' ' A' ' 36' ' ' LYS . 4.0 mm? -109.52 36.03 3.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -172.21 105.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 8.3 pttt -41.08 -47.71 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.29 -51.58 35.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -58.24 -46.71 85.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 39' ' ' CYS . 32.3 tp -44.15 -41.92 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -58.43 -46.79 85.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.9 t -58.33 -40.15 76.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 59' ' ' VAL . 33.2 t60 -52.91 -39.05 62.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 60' ' ' HIS . 23.9 mt -79.51 -30.78 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -77.8 -8.97 58.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -117.41 -38.12 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.417 HG21 ' CE1' ' A' ' 55' ' ' HIS . 71.8 t -88.85 -65.4 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.515 ' HB2' HG23 ' A' ' 56' ' ' ILE . 14.1 m-70 -97.51 48.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -78.48 120.28 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.4 tttm 70.47 56.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 64' ' ' LYS . 3.2 tp -65.77 143.06 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.5 mmpt? -99.96 112.96 25.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' HD22 ' A' ' 80' ' ' LEU . 54.6 mm-40 -96.46 100.82 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -104.99 110.93 23.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.7 t -47.85 123.65 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.512 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -83.65 25.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -120.68 -44.19 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 5.9 p -129.0 8.71 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? 61.87 31.04 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 7.4 tptm -80.91 123.29 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.93 154.28 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -153.64 138.28 16.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.0 t -76.03 -44.82 37.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.6 123.25 46.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.0 p -50.44 -37.96 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -43.76 -46.66 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.04 -50.25 62.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 65' ' ' GLN . 52.2 tp -44.79 -41.82 7.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.79 -49.47 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -61.75 -42.22 98.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -52.11 -58.84 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 88' ' ' HIS . 27.5 mt -49.52 -48.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -66.22 -12.68 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -95.43 -63.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.71 -50.64 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 84' ' ' ILE . 59.0 m-70 -95.44 46.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 89' ' ' ASP . 8.2 p30 -65.14 116.79 33.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.706 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 85.44 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.236 . . . . 0.0 112.347 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 92' ' ' ASP . 31.2 tp60 -97.16 99.48 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' GLN . 7.0 m-20 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -114.42 86.71 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -91.22 178.14 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.4 -71.96 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -49.87 166.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 p -73.96 145.63 44.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.17 -141.22 3.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 35.9 mtpt 58.62 53.46 5.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.6 Cg_endo -69.78 -38.22 8.04 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.512 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 35.5 m-85 -69.63 119.47 13.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -117.47 151.22 37.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' CYS . 18.2 t -82.04 117.68 69.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 0.51 5.51 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.709 2.273 . . . . 0.0 112.368 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -111.46 -34.94 5.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.483 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.1 p -136.05 -176.04 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.1 m -89.53 39.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 52.0 t80 -93.5 153.86 18.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.32 148.78 23.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -150.02 161.83 41.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.55 -32.06 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.4 mt -91.6 147.76 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.32 -47.64 33.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.76 -39.82 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.509 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.6 m120 -52.8 -48.23 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -54.7 -34.77 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -67.98 -46.64 70.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -69.68 -31.81 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.628 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 54.4 t60 -68.7 -52.59 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.33 -25.53 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 33' ' ' THR . 87.6 mtt180 -52.07 -43.47 63.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -55.67 -18.59 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -98.75 24.04 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 30' ' ' ARG . 44.8 p -99.5 -174.2 2.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.556 ' H ' HD12 ' A' ' 47' ' ' LEU . . . -106.54 -148.7 15.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.565 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -65.15 138.98 58.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.947 0.403 . . . . 0.0 110.902 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -107.04 100.79 10.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 22.7 m-85 -91.6 95.97 10.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.29 149.26 48.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.74 137.43 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -85.02 20.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -128.94 -34.44 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.0 p -143.21 -175.71 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.2 t -83.96 37.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -89.8 157.26 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 p -150.76 152.63 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.4 t -151.94 155.21 37.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 35' ' ' GLU . 4.2 mm? -96.39 38.35 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -164.99 131.04 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 9.0 mtpt -63.45 -56.78 13.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.18 -47.38 55.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.55 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -57.74 -49.49 76.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.7 tp -45.63 -44.06 12.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.2 -52.39 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.489 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 83.3 t -49.73 -44.78 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -51.54 -39.19 57.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.3 mt -79.0 -27.19 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.96 -9.96 58.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.474 ' HG2' HG23 ' A' ' 59' ' ' VAL . 5.8 ptm180 -114.16 -37.88 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.474 HG23 ' HG2' ' A' ' 58' ' ' ARG . 91.5 t -89.73 -64.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -93.17 43.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.6 141.86 33.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm 55.03 55.05 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.6 tt -91.75 146.44 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -107.02 99.25 8.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 13.7 mm100 -56.56 121.33 9.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 14.2 p-80 -112.3 117.83 33.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.0 t -47.85 157.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.529 ' HD3' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -103.13 -18.95 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.529 ' CD1' ' HD3' ' A' ' 68' ' ' ARG . 6.5 m-85 -87.51 -58.68 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 71' ' ' LYS . 29.6 p -99.68 16.92 21.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 70' ' ' CYS . 51.2 mmtt 33.95 39.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 12.9 tttp -103.58 121.14 42.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 0.0 OUTLIER -88.36 144.17 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.546 ' CD1' HD13 ' A' ' 80' ' ' LEU . 10.2 m-85 -120.86 135.03 55.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' TYR . 14.1 t -36.46 -53.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -123.21 151.25 42.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.9 p -63.57 -47.16 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.527 ' N ' HG13 ' A' ' 77' ' ' VAL . 9.8 mmmt -36.8 -55.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -60.29 -52.59 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.546 HD13 ' CD1' ' A' ' 74' ' ' TYR . 57.6 tp -46.26 -44.38 16.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.5 mm -48.98 -55.26 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -61.53 -44.95 96.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -48.64 -41.03 29.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 88' ' ' HIS . 88.7 mt -70.8 -48.6 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -64.89 -20.12 66.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.69 -66.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.57 -53.07 47.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' ILE . 62.9 m-70 -100.97 39.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 91' ' ' GLN . 18.1 p-10 -52.19 116.19 8.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 14.42 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.294 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' A' ' 89' ' ' ASP . 18.6 mt-30 64.14 41.64 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -95.63 175.73 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -48.66 148.55 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.17 69.96 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -105.22 81.82 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -112.64 78.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.99 -123.79 1.04 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 69.1 mttt 49.24 54.18 15.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.76 -34.35 14.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.385 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 56.3 m-85 -73.48 117.9 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -113.19 147.49 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 15' ' ' CYS . 22.5 t -81.57 121.37 79.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.722 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.79 -2.96 11.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -108.3 -36.72 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.9 p -138.17 -175.17 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -88.88 36.35 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.762 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 23.8 t80 -87.24 147.86 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.09 156.06 43.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 t -157.4 142.29 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.9 25.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -147.55 140.54 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -64.86 -54.2 34.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.71 -40.42 40.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.402 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.6 m-80 -53.74 -64.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 10' ' ' TYR . 26.5 tp -41.12 -37.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -66.34 -53.11 40.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -61.79 -37.11 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.762 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 55.2 t60 -65.86 -35.9 81.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD21 ' HD2' ' A' ' 13' ' ' PRO . 19.2 mt -68.79 -30.36 68.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.507 ' O ' HG23 ' A' ' 33' ' ' THR . 39.1 mtp180 -53.03 -32.49 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -71.23 -33.04 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' THR . 44.1 m-70 -68.19 -23.36 64.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 30' ' ' ARG . 54.6 p -34.15 140.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 96.72 50.81 1.75 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' OE1' ' CE2' ' A' ' 37' ' ' PHE . 15.1 tt0 -37.03 154.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 14.7 mmtt -112.54 97.69 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 12.0 m-85 -88.9 106.56 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.76 136.77 35.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.48 ' HA ' HD11 ' A' ' 52' ' ' LEU . 48.8 t -56.18 131.16 47.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.08 14.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.602 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 18.6 m-85 -124.24 -29.71 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 44' ' ' PHE . 16.8 p -145.58 -175.22 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.5 m -84.67 28.52 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.446 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 29.8 t80 -79.78 151.72 30.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.0 p -143.59 154.05 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.35 173.55 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CD2' ' HE2' ' A' ' 36' ' ' LYS . 90.2 mt -113.58 34.49 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -167.3 124.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -61.03 -53.6 55.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.52 -44.52 22.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -65.62 -50.53 64.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 39' ' ' CYS . 21.3 tp -42.25 -46.35 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -51.87 -50.81 60.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.522 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 59.2 t -51.58 -55.56 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.517 ' CE1' HG11 ' A' ' 59' ' ' VAL . 37.7 t60 -38.28 -47.65 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 60' ' ' HIS . 59.7 mt -69.54 -42.32 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.6 -8.51 54.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 -112.82 -29.79 7.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.591 ' CG1' ' N ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -113.33 -48.61 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.899 ' HB2' HG23 ' A' ' 56' ' ' ILE . 99.6 m-70 -97.03 42.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -82.51 151.03 26.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.449 ' HA ' HG12 ' A' ' 77' ' ' VAL . 15.8 tptm 69.52 56.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 60' ' ' HIS . 17.5 tt -154.75 156.06 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' ILE . 3.0 mppt? -36.38 106.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HB3' HD22 ' A' ' 80' ' ' LEU . 8.6 mm100 -107.24 164.24 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 36.1 p-80 -131.86 112.73 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 3.8 t -46.76 158.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -107.47 -10.15 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 88.1 m-85 -93.57 -44.11 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' LYS . 25.1 p -122.06 20.04 10.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' CYS . 7.2 mptt 35.59 44.43 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -99.99 127.27 46.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' GLN . 28.0 mttp -83.25 142.9 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 26.7 m-85 -126.74 119.33 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 74' ' ' TYR . 13.3 p -37.07 -46.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.4 122.79 28.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.8 p -42.26 -45.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.492 ' N ' HG13 ' A' ' 77' ' ' VAL . 4.3 mmmm -33.29 -50.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -66.71 -49.2 66.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 65' ' ' GLN . 50.2 tp -46.29 -43.99 16.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.0 mm -52.96 -55.78 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -63.28 -46.36 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.488 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 5.8 t60 -45.19 -47.89 12.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 88' ' ' HIS . 75.2 mt -65.23 -40.15 87.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 11.1 mmm180 -63.37 -25.83 68.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -95.71 -66.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.44 65.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.542 ' HB2' HG23 ' A' ' 84' ' ' ILE . 23.2 m-70 -106.94 41.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -55.17 113.57 5.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.863 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.78 36.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.252 . . . . 0.0 112.352 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -91.2 97.44 11.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 m -109.53 109.78 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -100.29 124.05 45.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.13 104.68 3.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.562 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 95.1 p -124.91 -43.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 23.4 m -36.72 -48.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.55 -167.72 32.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 26.2 mttm 62.19 53.04 2.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.74 -37.43 9.23 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.354 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 57.8 m-85 -71.57 131.77 43.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.76 150.77 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.42 119.27 75.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.3 Cg_endo -69.82 0.46 5.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.496 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 27.0 mt-30 -112.15 -35.63 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.9 p -135.63 -174.7 3.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m -89.74 36.42 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.755 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 60.2 t80 -89.07 155.85 19.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.4 138.34 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 p -130.65 158.61 39.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.26 -37.02 13.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.719 HG22 ' H ' ' A' ' 23' ' ' ALA . 4.3 mp -94.07 139.4 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -56.79 -37.56 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.719 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -68.78 -38.96 80.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.79 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.5 m120 -50.01 -54.69 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 10' ' ' TYR . 33.5 tp -47.75 -41.57 23.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 4.2 m-80 -62.44 -51.67 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.79 HG12 ' O ' ' A' ' 24' ' ' ASN . 2.2 p -61.15 -21.84 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.755 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 35.4 t60 -86.05 -23.37 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' HIS . 13.1 mt -83.51 -23.53 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.523 ' HG2' ' C ' ' A' ' 27' ' ' VAL . 7.9 mmm180 -42.02 -52.81 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -23.08 66.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.496 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 32.3 m-70 -82.38 23.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 30' ' ' ARG . 41.3 p -94.54 179.45 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.24 -121.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.541 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.502 ' O ' HD13 ' A' ' 47' ' ' LEU . 9.8 mt-10 -87.46 139.25 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -109.29 100.04 9.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.88 ' HB2' HD22 ' A' ' 52' ' ' LEU . 2.5 m-85 -86.81 87.47 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.0 138.17 57.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.14 135.61 57.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -82.31 15.63 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.9 m-85 -126.55 -37.63 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -137.64 -176.66 4.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.8 m -83.72 36.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' THR . 21.6 t80 -86.23 158.29 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.426 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.1 p -151.44 152.35 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.456 ' C ' HD22 ' A' ' 47' ' ' LEU . 4.2 t -151.96 171.63 17.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 35' ' ' GLU . 4.1 mm? -114.26 34.68 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.9 t -159.66 126.71 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.575 ' HD3' ' CE1' ' A' ' 37' ' ' PHE . 15.3 mmtp -57.96 -65.36 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.62 -49.3 7.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -55.07 -51.98 64.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.88 HD22 ' HB2' ' A' ' 37' ' ' PHE . 38.1 tp -45.23 -46.11 12.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -57.92 -44.39 86.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.36 -42.43 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -49.2 -42.71 41.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.829 HG23 ' HB2' ' A' ' 60' ' ' HIS . 31.1 mt -76.05 -42.21 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.83 -13.45 61.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' HG2' HG23 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -110.6 -33.8 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 58' ' ' ARG . 85.5 t -98.2 -61.25 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.829 ' HB2' HG23 ' A' ' 56' ' ' ILE . 32.0 m-70 -99.3 56.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -95.9 159.5 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' LYS . 7.9 tptp 34.56 55.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.7 tt -95.53 142.09 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -38.58 152.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.6 ' OE1' HG23 ' A' ' 77' ' ' VAL . 24.4 mt-30 -134.64 130.48 36.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 19.9 p80 -98.29 129.24 45.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.71 125.67 25.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' CZ ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 ppt_? -81.57 20.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CZ ' ' CZ ' ' A' ' 68' ' ' ARG . 98.4 m-85 -123.41 -48.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 71' ' ' LYS . 28.6 p -123.35 24.86 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 70' ' ' CYS . 7.5 mmpt? 37.27 54.33 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -115.26 119.76 37.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -76.41 148.53 37.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -136.7 116.77 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -39.63 -45.18 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.18 136.57 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.6 HG23 ' OE1' ' A' ' 65' ' ' GLN . 7.3 p -63.68 -42.88 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.454 ' N ' HG13 ' A' ' 77' ' ' VAL . 32.2 mtmt -38.89 -53.23 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.02 -50.88 68.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD22 ' CB ' ' A' ' 65' ' ' GLN . 57.8 tp -44.7 -42.39 7.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.5 mm -55.98 -58.88 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -59.17 -46.47 88.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -44.77 -44.55 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 88' ' ' HIS . 37.3 mt -67.63 -50.99 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -63.1 -19.05 64.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.91 -65.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.2 -50.91 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.513 ' HB2' HG23 ' A' ' 84' ' ' ILE . 62.2 m-70 -93.99 36.34 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -55.8 110.85 2.54 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.592 0.71 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -174.16 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -79.05 83.78 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 50.2 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 53.4 Cg_endo -69.83 -32.06 19.01 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.296 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 46.3 m-85 -74.89 117.68 17.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -109.51 152.82 24.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.468 ' HA ' HD11 ' A' ' 25' ' ' LEU . 44.1 t -90.67 119.65 68.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.543 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.81 1.54 4.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.304 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -109.34 -33.25 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 1.8 p -144.87 -175.0 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -87.51 35.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 48.3 t80 -85.88 157.4 20.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -154.33 157.35 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -158.07 166.18 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -101.09 23.17 11.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 20' ' ' ALA . 66.2 mt -152.93 134.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.47 ' CD ' ' H ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -59.29 -53.63 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.67 -49.66 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' HG12 ' A' ' 27' ' ' VAL . 20.5 m-20 -52.85 -49.89 64.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 10' ' ' TYR . 35.0 tp -52.42 -35.88 53.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -67.83 -54.71 16.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -60.4 -34.8 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 59.9 t60 -65.58 -37.52 86.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.543 HD21 ' HD2' ' A' ' 13' ' ' PRO . 31.0 mt -66.31 -29.4 69.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 -60.15 -34.8 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -63.8 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 49.1 m-70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mttp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 49' ' ' LYS . 66.0 m-85 -91.36 106.19 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.06 149.34 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' HA ' HD11 ' A' ' 52' ' ' LEU . 41.1 t -76.29 137.11 39.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.5 22.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.42 ' HB2' ' NE2' ' A' ' 60' ' ' HIS . 3.8 m-85 -130.97 -35.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.6 p -141.97 -176.16 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.8 p -83.14 36.93 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -89.32 155.78 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 p -148.74 152.68 37.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 t -152.92 155.03 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.03 -31.14 22.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.8 t -98.96 112.84 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 25.8 ttmt -52.13 -46.57 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.64 -39.67 54.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -67.59 -49.84 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 28.7 tp -43.68 -46.05 7.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -55.11 -46.03 75.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.8 -41.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.43 ' CE1' HG21 ' A' ' 59' ' ' VAL . 16.4 t60 -51.06 -35.69 35.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.508 HG23 ' HB2' ' A' ' 60' ' ' HIS . 47.9 mt -79.55 -33.88 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -76.9 -9.62 58.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -114.15 -41.06 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 55' ' ' HIS . 70.9 t -86.73 -64.9 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.508 ' HB2' HG23 ' A' ' 56' ' ' ILE . 60.4 m-70 -89.81 35.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -104.15 115.8 31.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.33 120.23 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -75.38 6.31 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -105.93 -52.1 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.4 p -118.97 25.16 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' CYS . 8.7 mmpt? 36.27 47.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -109.07 121.05 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 150.86 39.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -141.11 116.56 10.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.7 m -46.96 -48.52 21.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.427 ' HB2' ' ND2' ' A' ' 79' ' ' ASN . 22.6 m-20 -113.84 110.73 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 78' ' ' LYS . 8.3 p -44.73 -43.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 77' ' ' VAL . 15.1 mmmt -37.93 -48.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 76' ' ' ASP . 52.6 m-80 -64.98 -50.36 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.0 tp -43.49 -40.12 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.3 mm -60.08 -57.39 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -56.6 -39.86 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -53.5 -57.61 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 88' ' ' HIS . 89.8 mt -50.35 -42.74 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -71.53 -15.52 62.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -94.93 -64.73 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.78 -52.39 8.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.547 ' HB2' HG23 ' A' ' 84' ' ' ILE . 68.7 m-70 -87.49 37.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 20.9 mtmm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.2 Cg_endo -69.72 -39.77 6.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.392 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 60.8 m-85 -72.43 116.72 13.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -110.65 151.05 28.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' HA ' HD11 ' A' ' 25' ' ' LEU . 48.2 t -82.19 121.19 78.54 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.505 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.77 -1.63 8.8 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.741 2.294 . . . . 0.0 112.351 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -110.35 -35.52 6.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.464 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -137.15 -174.98 3.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -90.09 37.35 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.706 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 46.1 t80 -86.88 156.26 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 8' ' ' LYS . . . -150.89 150.51 30.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -146.97 164.36 33.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.411 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -104.98 22.59 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 20' ' ' ALA . 79.0 mt -149.56 141.53 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 tppp? -62.69 -52.17 64.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.56 60.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.43 ' O ' HG12 ' A' ' 27' ' ' VAL . 28.4 m-20 -55.12 -68.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 12' ' ' CYS . 23.1 tp -37.31 -41.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 34.8 m-80 -61.99 -50.35 72.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -64.83 -35.6 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.706 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 42.6 t60 -68.2 -28.55 67.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.505 HD21 ' HD2' ' A' ' 13' ' ' PRO . 26.7 mt -77.51 -21.57 52.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -54.54 -44.6 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -67.07 -18.62 65.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.875 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.7 mttm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -89.64 108.05 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.52 152.69 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' HD11 ' A' ' 52' ' ' LEU . 40.7 t -72.99 137.13 45.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.54 21.29 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.6 m-85 -130.6 -34.73 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.29 -175.07 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -84.26 32.63 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 45' ' ' THR . 50.4 t80 -85.35 159.25 20.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 16.8 p -149.55 154.11 38.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.78 165.54 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.7 mt -110.29 33.15 4.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -172.62 104.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -36.67 -48.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.65 -53.88 9.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -60.56 -47.84 84.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 39' ' ' CYS . 17.3 tp -48.2 -44.38 32.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -57.73 -45.88 85.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.14 -42.74 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -46.9 -41.24 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.997 HG23 ' HB2' ' A' ' 60' ' ' HIS . 29.0 mt -77.15 -39.13 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.49 -11.18 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -115.22 -33.69 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.5 t -98.29 -61.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.997 ' HB2' HG23 ' A' ' 56' ' ' ILE . 77.2 m-70 -92.86 43.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.518 HE22 ' N ' ' A' ' 77' ' ' VAL . 20.4 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 49.4 p-80 -112.8 103.08 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 17.1 t -46.57 158.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -106.47 -14.9 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.441 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 94.8 m-85 -85.43 -52.08 6.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 71' ' ' LYS . 17.9 p -116.59 23.25 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' CYS . 26.3 mmmt 35.32 35.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' CYS . 26.8 mttm -90.29 140.64 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -88.27 144.67 26.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.469 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 12.5 m-85 -135.46 125.84 26.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 4.5 m -83.22 24.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' SER . 6.2 m-20 -170.4 141.46 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.518 ' N ' HE22 ' A' ' 65' ' ' GLN . 13.3 p -80.71 -43.43 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.486 ' N ' HG13 ' A' ' 77' ' ' VAL . 32.3 mmtm -46.57 -47.42 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -70.75 -44.81 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 65' ' ' GLN . 63.4 tp -48.61 -37.32 17.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 77' ' ' VAL . 43.4 mm -61.14 -56.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -59.68 -48.05 83.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.469 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 6.2 t60 -43.56 -46.02 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.963 HG23 ' HB2' ' A' ' 88' ' ' HIS . 48.0 mt -71.25 -46.71 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -13.45 58.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -97.26 -52.45 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.01 -53.62 3.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.963 ' HB2' HG23 ' A' ' 84' ' ' ILE . 29.6 m-70 -90.62 50.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 41.5 mttm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.578 0.704 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.78 -38.0 8.36 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 25' ' ' LEU . 57.6 m-85 -69.14 128.59 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.05 151.3 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' CYS . 48.0 t -85.37 119.04 71.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.621 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.79 0.78 5.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -111.26 -33.29 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -140.59 -175.1 4.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -88.58 37.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.761 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 39.2 t80 -90.13 152.69 21.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.94 151.96 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.5 164.95 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.64 18.95 21.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 76.1 mt -147.33 133.68 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.505 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 19.2 tptt -54.42 -54.68 37.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -48.64 -45.41 38.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.454 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.6 m120 -50.25 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 10' ' ' TYR . 22.4 tp -37.05 -43.9 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 43.1 m-80 -59.98 -51.08 71.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -63.19 -34.91 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.761 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 58.1 t60 -66.99 -40.13 87.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.621 HD21 ' HD2' ' A' ' 13' ' ' PRO . 16.5 mt -64.97 -23.29 67.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -58.54 -27.29 64.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.691 ' HB3' HD21 ' A' ' 47' ' ' LEU . 48.2 mttt -76.41 -25.78 54.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.613 ' CZ ' ' HD2' ' A' ' 49' ' ' LYS . 30.6 m-85 -89.19 95.43 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.67 155.69 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.3 t -77.9 138.7 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.66 19.05 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -127.25 -38.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -137.6 -175.28 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.1 t -85.21 34.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -87.51 153.48 21.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.4 p -145.91 156.91 43.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.2 t -153.78 164.45 38.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 31' ' ' LYS . 3.8 mm? -98.66 -14.0 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -117.05 103.25 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -42.62 -37.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.94 -59.85 10.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -52.07 -45.9 64.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.6 tp -45.07 -43.99 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -58.98 -45.07 91.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.67 -38.91 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -51.09 -39.71 56.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.681 HG23 ' HB2' ' A' ' 60' ' ' HIS . 33.1 mt -77.83 -37.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 3.8 mm-40 -74.17 -9.04 58.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -114.34 -35.92 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.6 t -95.0 -64.32 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.681 ' HB2' HG23 ' A' ' 56' ' ' ILE . 63.6 m-70 -88.21 40.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 57' ' ' GLU . 11.3 tppt? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HB3' HD22 ' A' ' 80' ' ' LEU . 15.1 mm100 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -115.06 112.24 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -46.74 159.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -104.93 -23.61 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.416 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 43.9 m-85 -81.47 -67.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 p -84.84 -13.33 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt 62.16 45.14 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -105.4 127.77 53.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -76.04 145.76 39.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.454 ' HH ' ' CE1' ' A' ' 83' ' ' HIS . 37.8 m-85 -134.58 127.43 31.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.1 p -48.41 -50.61 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -122.26 148.68 44.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.9 -38.38 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -40.53 -64.28 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -51.88 -53.41 41.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 65' ' ' GLN . 64.0 tp -42.51 -45.12 4.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.8 mm -47.85 -61.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -57.97 -48.3 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.454 ' CE1' ' HH ' ' A' ' 74' ' ' TYR . 13.7 t60 -43.35 -46.78 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 88' ' ' HIS . 68.1 mt -67.7 -37.67 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 8.0 mmm180 -69.09 -25.79 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -97.38 -66.05 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.37 -53.05 62.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 84' ' ' ILE . 72.1 m-70 -105.17 39.89 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 85' ' ' ARG . 4.3 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' HB3' ' N ' ' A' ' 19' ' ' SER . 22.3 mtmt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.571 0.701 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -36.77 10.14 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.6 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.4 m-30 -66.01 98.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.88 151.15 19.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' CYS . 53.1 t -84.82 123.26 74.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.8 0.45 5.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -110.22 -32.96 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 17' ' ' TYR . 6.3 p -144.56 -174.95 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -87.8 39.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 62.7 t80 -88.36 158.58 18.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -151.27 153.56 35.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.505 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -170.27 113.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.579 ' O ' ' CE2' ' A' ' 10' ' ' TYR . . . -55.28 -28.48 53.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 24' ' ' ASN . 22.1 mt -77.0 123.1 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 7.6 tptt -58.39 -50.5 73.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.29 70.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.6 m120 -53.32 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 10' ' ' TYR . 28.6 tp -38.81 -42.69 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 21.2 m-80 -61.01 -53.25 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -62.85 -36.5 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 48.8 t60 -64.61 -29.52 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.43 HD21 ' HD2' ' A' ' 13' ' ' PRO . 77.1 mt -78.23 -18.42 55.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 56.5 mtp180 -70.15 -35.89 74.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -67.75 -29.61 68.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 179.877 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 10.9 m-85 -89.11 106.59 18.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.29 155.96 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -80.22 140.33 36.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -87.47 19.94 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 60' ' ' HIS . 2.6 m-85 -127.74 -39.59 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -138.17 -174.58 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.5 m -83.25 32.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -84.16 152.92 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.2 p -146.91 153.01 39.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.02 143.46 22.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -76.89 -20.99 55.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m -112.9 102.46 10.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -44.28 -47.93 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.22 -50.72 9.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -63.66 -48.33 77.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.1 tp -41.86 -42.14 2.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.49 -50.0 73.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.511 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 94.3 t -54.58 -44.57 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -50.36 -36.48 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.747 HG23 ' HB2' ' A' ' 60' ' ' HIS . 31.2 mt -80.63 -36.32 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.71 -13.99 62.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -110.73 -38.62 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 64.7 t -90.28 -63.96 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.747 ' HB2' HG23 ' A' ' 56' ' ' ILE . 33.5 m-70 -97.3 50.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.686 ' HB3' HD22 ' A' ' 80' ' ' LEU . 33.1 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.523 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 22.7 p-80 -88.79 119.88 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -56.56 121.12 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 3.77 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.29 -60.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' LYS . 22.0 p -110.57 24.47 12.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.6 OUTLIER 36.0 49.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -109.44 124.48 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -77.71 150.14 34.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -140.04 125.1 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 t -51.34 -61.02 2.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.63 128.87 54.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.8 -33.02 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -43.78 -54.51 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.02 -52.13 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 65' ' ' GLN . 55.5 tp -41.6 -42.7 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.4 -55.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -61.24 -47.93 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -47.47 -45.26 25.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.814 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.494 HG23 ' HB2' ' A' ' 88' ' ' HIS . 65.7 mt -65.9 -48.09 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.8 mtp85 -70.25 -11.42 60.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.43 -53.76 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.95 -52.6 3.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.494 ' HB2' HG23 ' A' ' 84' ' ' ILE . 70.7 m-70 -88.42 49.6 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.618 0.723 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.498 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 12.6 mtmt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.569 0.699 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.73 -33.29 17.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.395 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.852 ' HB3' HD22 ' A' ' 25' ' ' LEU . 59.7 m-85 -71.97 105.74 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -94.03 149.99 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' CYS . 50.1 t -83.95 124.14 74.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.422 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.73 0.34 5.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -111.37 -30.94 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 9.7 p -148.21 -175.38 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -86.79 38.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.674 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 48.1 t80 -89.33 145.96 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.498 ' HB1' ' CB ' ' A' ' 8' ' ' LYS . . . -136.03 145.99 46.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.477 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -142.34 119.79 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.451 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -55.83 -29.22 59.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.5 145.03 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 23.0 tttp -63.32 -53.74 47.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -42.32 -61.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.463 ' O ' HG12 ' A' ' 27' ' ' VAL . 8.0 t-20 -37.73 -60.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.852 HD22 ' HB3' ' A' ' 10' ' ' TYR . 21.5 tp -41.93 -41.72 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 12.9 m-80 -61.75 -48.62 79.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -67.0 -38.4 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.674 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.0 t60 -60.69 -31.42 70.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.422 HD21 ' HD2' ' A' ' 13' ' ' PRO . 31.6 mt -73.95 -21.2 60.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.3 -35.18 79.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -72.78 -13.22 61.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.822 0.344 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.516 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 9.5 m-85 -88.45 106.29 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.82 152.31 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.4 t -72.95 139.47 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -86.95 12.62 10.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.439 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 3.4 m-85 -121.51 -31.1 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.3 p -145.85 -177.22 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -83.52 36.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 45' ' ' THR . 29.7 t80 -87.43 157.77 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.41 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.0 p -152.24 154.13 35.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 t -152.3 160.06 43.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -100.23 30.92 3.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.4 t -157.99 109.06 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 37' ' ' PHE . 3.5 ttpm? -48.8 -43.44 38.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.25 -49.71 75.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -58.95 -44.68 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.6 tp -45.32 -45.69 12.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -53.89 -50.81 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.49 -46.32 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.462 ' CE1' HG21 ' A' ' 59' ' ' VAL . 51.9 t60 -48.57 -42.49 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.423 HG23 ' HB2' ' A' ' 60' ' ' HIS . 49.2 mt -79.33 -26.03 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' C ' ' HB2' ' A' ' 61' ' ' LYS . 19.2 mt-10 -82.18 -9.06 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -119.72 -33.0 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.462 HG21 ' CE1' ' A' ' 55' ' ' HIS . 61.1 t -91.32 -65.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 23.5 m-70 -96.63 43.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HB2' ' C ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HB3' HD22 ' A' ' 80' ' ' LEU . 1.2 tp60 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.796 0.331 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -104.29 130.3 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.9 t -73.11 118.92 16.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.657 ' NH1' HD11 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -73.1 4.36 4.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 63.5 m-85 -104.42 -46.6 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.5 p -128.33 30.29 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 32.2 47.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -101.76 127.55 48.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -81.43 138.57 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.43 ' CD1' HD13 ' A' ' 80' ' ' LEU . 24.0 m-85 -133.63 114.29 13.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' TYR . 2.9 m -37.51 -48.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.52 150.51 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 78' ' ' LYS . 8.1 p -75.43 -41.76 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.428 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -41.31 -60.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -53.95 -50.58 66.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 65' ' ' GLN . 57.3 tp -44.91 -45.81 10.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.0 mm -46.78 -58.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -59.25 -49.3 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -43.29 -37.22 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.657 HD11 ' NH1' ' A' ' 68' ' ' ARG . 24.8 mt -72.22 -41.52 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -72.12 -12.67 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -98.04 -45.43 6.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.88 -53.89 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.602 ' HB2' HG23 ' A' ' 84' ' ' ILE . 57.7 m-70 -95.43 51.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 49.5 mttm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.74 -41.86 3.93 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.521 ' HB3' HD22 ' A' ' 25' ' ' LEU . 53.8 m-85 -68.32 120.34 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -112.1 150.47 30.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 15' ' ' CYS . 38.9 t -83.95 118.96 72.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.661 0.744 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.0 Cg_endo -69.75 -3.0 11.12 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -109.19 -37.7 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -134.64 -175.33 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.8 m -90.31 38.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.751 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 41.3 t80 -90.57 155.95 18.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -150.19 148.89 29.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.1 170.89 15.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.96 -32.76 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.111 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.7 mt -92.85 147.91 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -70.14 -50.71 37.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.03 -33.51 52.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.424 ' O ' HG12 ' A' ' 27' ' ' VAL . 18.3 m-20 -57.64 -64.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 10' ' ' TYR . 40.8 tp -40.32 -36.52 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.441 ' HA ' HD12 ' A' ' 29' ' ' LEU . 37.1 m-80 -66.26 -50.23 64.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -65.8 -34.99 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.751 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 52.9 t60 -64.87 -34.62 78.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.536 HD21 ' HD2' ' A' ' 13' ' ' PRO . 9.9 mt -70.26 -22.76 62.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -59.51 -24.38 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -78.7 -28.52 45.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 92.0 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HE2' HD21 ' A' ' 47' ' ' LEU . 20.8 mmtt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.77 0.319 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 49' ' ' LYS . 21.7 m-85 -96.56 95.1 7.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.84 143.8 54.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 52' ' ' LEU . 53.6 t -64.9 138.35 58.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -85.26 18.07 2.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.1 m-85 -127.01 -32.35 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.51 -175.0 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 t -83.95 36.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 45' ' ' THR . 25.8 t80 -86.27 157.9 19.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.417 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 16.9 p -151.97 154.27 35.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.1 t -153.08 160.86 42.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 47' ' ' LEU . 2.2 mm? -99.26 30.83 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.1 m -158.0 143.34 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 37' ' ' PHE . 12.2 mttt -75.68 -49.17 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.65 -43.72 91.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -62.42 -50.36 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD22 ' CB ' ' A' ' 37' ' ' PHE . 14.7 tp -42.44 -44.53 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -59.03 -50.79 72.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.503 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 31.7 t -51.69 -42.8 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.401 ' CE1' HG21 ' A' ' 59' ' ' VAL . 37.6 t60 -51.16 -41.94 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mt -76.95 -22.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -86.07 -10.42 54.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 12.4 ptt85 -114.66 -37.72 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 69.5 t -88.43 -65.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -95.96 43.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HB3' HD22 ' A' ' 80' ' ' LEU . 22.3 mm100 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -112.4 132.37 55.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.0 t -58.89 158.82 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -105.8 -11.03 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.565 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 50.8 m-85 -88.9 -46.19 9.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 10.5 p -119.3 18.44 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? 40.64 42.37 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.464 ' HG2' ' CE2' ' A' ' 74' ' ' TYR . 10.1 tptt -89.38 112.71 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -74.77 130.16 38.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CE2' ' HG2' ' A' ' 72' ' ' LYS . 32.7 m-85 -128.58 116.78 20.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -51.58 -52.62 45.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -102.25 135.88 43.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 78' ' ' LYS . 15.0 p -66.24 -40.69 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' N ' HG13 ' A' ' 77' ' ' VAL . 3.9 mppt? -42.85 -46.71 5.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -66.35 -52.27 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 65' ' ' GLN . 30.9 tp -44.29 -44.14 7.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.1 mm -53.85 -53.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -63.31 -29.39 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -64.64 -44.11 91.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 88' ' ' HIS . 76.5 mt -67.87 -45.28 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -65.69 -20.56 66.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -97.03 -66.51 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.62 -52.37 61.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' ILE . 41.5 m-70 -106.48 39.14 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.621 0.724 . . . . 0.0 110.862 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.506 ' HB3' ' N ' ' A' ' 19' ' ' SER . 11.7 mttm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.559 0.695 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.1 Cg_endo -69.75 -37.26 9.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 49.0 m-85 -64.61 117.47 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -109.88 151.37 27.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' HD11 ' A' ' 25' ' ' LEU . 48.9 t -83.91 121.05 75.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.542 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.79 2.07 3.88 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 28.3 mt-30 -115.33 -34.77 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 3.2 p -139.77 -175.07 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 t -88.8 35.51 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.744 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 33.7 t80 -85.61 154.26 21.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.96 157.32 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.062 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.506 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -168.49 128.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -74.23 42.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.475 HG13 ' C ' ' A' ' 20' ' ' ALA . 72.2 mt -155.31 128.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -59.88 -60.35 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.32 -38.63 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.42 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.3 m120 -56.23 -66.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' A' ' 12' ' ' CYS . 25.7 tp -39.47 -38.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -65.06 -47.84 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -68.27 -38.48 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.744 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 49.6 t60 -64.55 -25.61 68.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.542 HD21 ' HD2' ' A' ' 13' ' ' PRO . 19.4 mt -82.49 -20.34 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -51.82 -44.34 63.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 20.0 pttt -67.8 -25.62 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.428 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 37.5 m-70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 65.7 m-85 -93.96 109.18 20.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.48 151.53 25.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.6 t -78.43 136.0 37.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.88 22.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.458 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 1.7 m-85 -130.45 -35.42 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.0 p -140.79 -174.99 4.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 t -84.06 32.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -84.81 153.08 23.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.7 p -149.42 147.33 28.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -142.99 165.74 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 tp -96.65 -25.94 15.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.497 ' O ' ' C ' ' A' ' 49' ' ' LYS . 3.6 m -115.54 89.57 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.536 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -30.24 -40.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' A' ' 49' ' ' LYS . . . -43.42 -51.71 6.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -67.29 -45.1 77.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.422 HD22 ' CB ' ' A' ' 37' ' ' PHE . 44.2 tp -45.61 -41.22 9.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -58.55 -43.63 89.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.84 -35.67 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.53 -38.65 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.887 HG23 ' HB2' ' A' ' 60' ' ' HIS . 22.9 mt -78.74 -36.07 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.33 -9.75 59.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.499 ' HG2' HG23 ' A' ' 59' ' ' VAL . 4.0 ptm180 -115.15 -32.78 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 58' ' ' ARG . 89.4 t -98.48 -61.48 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.887 ' HB2' HG23 ' A' ' 56' ' ' ILE . 81.6 m-70 -91.07 41.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 86.8 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.838 0.352 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -98.26 127.96 44.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 16.6 t -64.84 129.15 38.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -83.28 18.04 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.425 ' CE2' ' HD3' ' A' ' 68' ' ' ARG . 57.3 m-85 -119.62 -44.65 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 27.1 p -127.03 22.54 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.1 mptt 38.81 53.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -112.11 120.85 43.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -73.65 148.47 42.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -136.81 178.04 7.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.0 m -106.29 -50.91 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -105.43 106.8 17.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 81' ' ' ILE . 7.8 p -44.31 -34.22 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -57.44 -54.4 47.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.23 -32.68 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 65' ' ' GLN . 62.2 tp -59.81 -40.69 89.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 77' ' ' VAL . 35.7 mm -58.78 -50.8 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.1 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -48.92 -47.48 43.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.714 HG23 ' HB2' ' A' ' 88' ' ' HIS . 22.1 mt -67.31 -35.41 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -71.28 -23.7 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -94.81 -61.61 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.81 -52.18 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.714 ' HB2' HG23 ' A' ' 84' ' ' ILE . 55.8 m-70 -94.36 35.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.412 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 2.4 p-10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 8.3 mtmp? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.55 0.69 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.0 Cg_endo -69.75 -38.65 7.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 63.1 m-85 -70.7 133.03 46.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.06 149.66 48.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 15' ' ' CYS . 42.2 t -83.7 120.17 74.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.709 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.0 Cg_endo -69.79 -2.54 10.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.373 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -109.19 -35.62 6.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.473 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -136.54 -175.43 4.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -89.78 37.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.636 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 39.8 t80 -88.29 156.38 19.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -149.97 149.01 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -145.87 161.7 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.79 -28.25 16.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.4 mt -98.9 143.57 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -64.21 -50.47 67.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.74 -35.87 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.429 ' O ' HG12 ' A' ' 27' ' ' VAL . 9.8 m-20 -55.51 -60.9 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 10' ' ' TYR . 43.5 tp -43.28 -37.03 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -66.99 -54.3 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -59.7 -33.53 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.636 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 56.8 t60 -65.87 -50.6 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.709 HD21 ' HD2' ' A' ' 13' ' ' PRO . 14.2 mt -54.58 -29.39 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -55.5 -17.06 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.551 ' NZ ' ' CB ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -82.0 -20.94 37.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.759 0.314 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 78.0 m-85 -104.19 98.96 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.68 149.4 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.1 t -77.54 136.47 38.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.52 21.79 2.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.434 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.6 m-85 -129.52 -32.92 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.984 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.1 p -144.15 -175.0 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.2 m -83.41 30.86 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -82.26 155.37 24.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.1 p -150.29 153.69 36.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.61 170.09 21.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.65 -27.95 12.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 49' ' ' LYS . 2.1 t -107.37 86.68 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -31.51 -38.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -49.14 -50.29 28.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.553 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -64.28 -43.37 94.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.1 tp -44.82 -44.63 9.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -54.09 -44.39 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.438 HG12 ' HD2' ' A' ' 58' ' ' ARG . 95.7 t -64.41 -38.65 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -54.23 -38.72 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.7 mt -79.36 -26.63 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 4.8 mm-40 -87.6 -9.57 53.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HD2' HG12 ' A' ' 54' ' ' VAL . 7.8 ptm180 -113.49 -39.81 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -90.99 -64.05 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -88.26 38.61 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.83 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -117.61 117.53 29.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.6 t -47.0 126.34 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HD2' ' CE2' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -80.52 12.64 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.416 ' CE2' ' HD2' ' A' ' 68' ' ' ARG . 66.5 m-85 -115.86 -41.16 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.7 p -132.14 26.24 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' CYS . 26.2 mttm 35.06 54.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 54.3 tttt -101.67 122.28 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -77.82 133.57 38.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -128.48 133.18 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 t -61.02 -48.35 82.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -118.97 112.89 20.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.4 p -39.71 -46.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.51 ' N ' HG13 ' A' ' 77' ' ' VAL . 7.2 ptmt -35.78 -44.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.487 ' ND2' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m120 -67.41 -48.26 67.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.6 tp -47.38 -41.43 19.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.3 mm -54.67 -57.01 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -60.64 -46.94 88.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -47.72 -47.69 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' HIS . 96.9 mt -62.71 -51.17 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -60.51 -21.89 62.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -88.7 -66.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.64 -52.1 23.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 84' ' ' ILE . 29.8 m-70 -101.73 42.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HA ' ' C ' ' A' ' 19' ' ' SER . 30.3 mttp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.611 0.719 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 54.2 Cg_endo -69.68 -28.23 25.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 2.3 m-30 -68.5 100.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -92.23 148.17 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -84.21 119.86 73.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.468 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.75 0.74 5.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.234 . . . . 0.0 112.338 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.425 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 24.1 mt-30 -113.05 -37.42 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -135.59 -173.76 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -90.2 37.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 55.1 t80 -90.11 147.75 23.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.31 149.4 49.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.46 ' C ' ' HA ' ' A' ' 8' ' ' LYS . 1.7 t -154.4 171.23 19.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.17 25.03 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 69.0 mt -149.3 115.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.526 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 11.3 tttt -42.71 -52.04 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.14 -43.83 52.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.9 m-80 -59.64 -61.11 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.2 tp -44.03 -34.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 69.0 m-80 -67.87 -55.53 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -59.98 -32.54 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.602 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.7 t60 -71.25 -32.54 68.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.468 HD21 ' HD2' ' A' ' 13' ' ' PRO . 26.9 mt -74.98 -29.18 60.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 32.5 mtm180 -45.24 -50.42 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -62.06 -29.97 70.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 55.9 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 mttp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.813 0.339 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.546 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 78.9 m-85 -95.29 105.84 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.98 147.35 28.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.1 138.36 43.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -86.5 21.91 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -130.44 -32.41 1.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -145.04 -175.09 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.3 t -84.1 36.58 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 45' ' ' THR . 47.7 t80 -88.82 159.15 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.0 p -150.79 155.33 39.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.92 143.64 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.3 mt -77.19 -27.63 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 50' ' ' GLY . 94.6 p -109.94 88.07 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -31.75 -37.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -51.14 -50.31 40.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -66.7 -38.96 87.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.482 HD22 ' HB3' ' A' ' 37' ' ' PHE . 18.3 tp -49.58 -32.73 13.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -66.06 -40.79 91.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.72 -36.03 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -54.13 -38.79 65.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 60' ' ' HIS . 33.6 mt -77.09 -29.77 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -82.19 -10.08 59.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.532 ' HG2' HG23 ' A' ' 59' ' ' VAL . 2.4 ptm180 -113.33 -34.56 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 58' ' ' ARG . 97.5 t -95.18 -62.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.52 ' HB2' HG23 ' A' ' 56' ' ' ILE . 52.3 m-70 -93.91 45.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.424 ' CD ' ' HB ' ' A' ' 77' ' ' VAL . 2.1 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -125.57 111.53 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.4 t -47.07 158.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -105.95 -19.19 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.501 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 79.5 m-85 -84.38 -53.33 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.9 p -107.27 18.0 22.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' CYS . 20.5 mmmt 35.63 38.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -86.5 176.7 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 7.7 tttt -119.54 145.1 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 31.7 m-85 -146.83 119.94 8.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.6 m -56.62 -53.85 52.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -99.71 132.01 45.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.424 ' HB ' ' CD ' ' A' ' 65' ' ' GLN . 10.2 p -68.2 -38.67 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -43.87 -50.6 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -63.02 -52.61 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.3 tp -42.56 -44.71 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.2 mm -52.26 -53.85 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -62.16 -48.75 78.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -44.39 -47.08 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.837 HG23 ' HB2' ' A' ' 88' ' ' HIS . 62.4 mt -63.14 -40.45 89.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -72.54 -12.29 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -96.86 -50.63 4.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.64 -53.57 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.837 ' HB2' HG23 ' A' ' 84' ' ' ILE . 47.7 m-70 -89.14 49.25 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.618 0.723 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.466 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 28.2 mttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.567 0.699 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.83 -36.48 10.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 22' ' ' LYS . 41.8 m-85 -70.64 117.53 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -110.69 151.78 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HA ' HD11 ' A' ' 25' ' ' LEU . 52.7 t -82.65 121.21 77.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.45 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.75 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -111.01 -34.57 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 3.1 p -138.41 -174.99 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -89.01 35.41 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.735 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 58.1 t80 -86.57 146.5 26.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.54 137.14 36.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -131.07 143.06 50.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.57 -25.4 61.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 23' ' ' ALA . 55.2 mt -110.06 152.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -69.25 -45.05 70.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -53.75 -54.32 39.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.489 ' O ' HG12 ' A' ' 27' ' ' VAL . 6.0 t-20 -42.17 -46.75 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 10' ' ' TYR . 31.5 tp -55.76 -35.47 66.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.1 m-80 -66.96 -47.17 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -68.91 -34.11 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.735 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 37.2 t60 -67.43 -25.66 66.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.45 HD21 ' HD2' ' A' ' 13' ' ' PRO . 20.2 mt -81.1 -27.57 35.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.0 mtt85 -47.73 -45.25 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 18.2 pttt -65.38 -34.91 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.0 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.549 ' CB ' HD22 ' A' ' 52' ' ' LEU . 1.9 m-85 -86.25 102.95 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.08 157.24 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -77.23 134.95 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -83.45 15.92 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.537 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 6.7 m-85 -124.16 -36.15 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -140.46 -175.29 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m -84.79 36.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -88.72 156.46 18.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.3 p -151.02 153.95 36.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.8 t -148.88 160.53 43.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.08 33.64 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -165.13 105.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 37' ' ' PHE . 7.5 ptpt -43.03 -47.73 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.85 -51.85 37.6 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -59.53 -46.95 87.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.549 HD22 ' CB ' ' A' ' 37' ' ' PHE . 22.4 tp -44.49 -44.84 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -55.81 -46.62 78.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.17 -41.68 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -51.46 -46.2 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.826 HG23 ' HB2' ' A' ' 60' ' ' HIS . 28.4 mt -75.38 -37.61 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -70.43 -12.06 61.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -113.49 -32.11 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.5 t -98.38 -60.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.826 ' HB2' HG23 ' A' ' 56' ' ' ILE . 30.3 m-70 -101.91 56.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.733 HE22 ' N ' ' A' ' 77' ' ' VAL . 7.7 mt-30 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.836 0.35 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 66' ' ' HIS . 13.6 p-80 -89.88 122.24 32.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 6.5 t -46.77 160.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -96.73 -9.25 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.44 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 2.1 m-85 -105.27 -62.11 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 72' ' ' LYS . 21.4 p -102.42 23.1 12.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.56 38.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.9 ttmm -80.93 129.51 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -71.07 139.52 50.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.475 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 17.9 m-85 -132.91 164.35 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -105.33 -50.13 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -108.59 121.26 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.733 ' N ' HE22 ' A' ' 65' ' ' GLN . 11.2 p -49.68 -49.48 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.575 ' N ' HG13 ' A' ' 77' ' ' VAL . 1.6 mmmp? -36.49 -56.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -59.93 -51.93 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 tp -42.31 -40.02 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.2 mm -63.4 -58.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 25.8 ttmt -56.34 -39.49 72.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.475 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 8.4 t60 -49.09 -54.21 17.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.544 HG23 ' HB2' ' A' ' 88' ' ' HIS . 23.9 mt -55.56 -42.13 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 89' ' ' ASP . 25.6 mtm180 -77.41 -9.37 58.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 82' ' ' LYS . 54.3 m-20 -96.77 -40.54 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.2 -52.84 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.544 ' HB2' HG23 ' A' ' 84' ' ' ILE . 37.1 m-70 -89.33 48.64 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 85' ' ' ARG . 13.9 t70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.607 0.717 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.4 mttm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.635 0.731 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.4 Cg_endo -69.76 -34.7 14.05 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.536 ' HB3' HD22 ' A' ' 25' ' ' LEU . 44.2 m-85 -67.09 120.55 13.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -111.41 151.35 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 15' ' ' CYS . 52.6 t -85.99 122.06 72.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.59 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.2 Cg_endo -69.79 1.05 4.81 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.531 ' HB2' ' CD2' ' A' ' 32' ' ' HIS . 12.3 mt-30 -112.3 -31.02 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.485 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.7 p -146.79 -175.01 4.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -87.41 35.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.749 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 19.2 t80 -89.16 153.89 20.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.9 158.26 39.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -157.54 132.21 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.46 -22.5 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.061 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.438 HG22 ' H ' ' A' ' 23' ' ' ALA . 5.2 mp -101.13 147.94 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -74.03 -42.58 60.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -55.73 -50.61 69.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -45.6 -40.11 8.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 10' ' ' TYR . 45.1 tp -62.83 -35.89 81.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -69.08 -45.29 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -70.59 -40.21 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.749 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 52.4 t60 -59.49 -34.65 72.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' A' ' 13' ' ' PRO . 22.6 mt -68.2 -28.25 67.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -54.45 -39.5 67.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -60.41 -36.94 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 14' ' ' GLN . 55.4 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -87.85 91.46 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.96 150.46 40.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HA ' HD11 ' A' ' 52' ' ' LEU . 53.4 t -78.62 138.35 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -86.85 18.45 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.6 m-85 -127.44 -34.67 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.2 p -141.66 -174.96 4.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -83.46 32.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -82.81 155.53 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.4 p -152.34 154.95 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 t -153.95 178.65 9.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.17 28.7 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -166.1 106.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -44.34 -50.26 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.22 -46.92 8.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -69.89 -46.39 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' ' 39' ' ' CYS . 16.3 tp -48.66 -40.51 28.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -47.84 83.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.1 t -58.45 -40.63 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -51.73 -38.67 56.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.715 HG23 ' HB2' ' A' ' 60' ' ' HIS . 31.9 mt -79.22 -34.16 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.59 -11.44 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -112.0 -38.62 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.5 t -92.06 -62.89 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.715 ' HB2' HG23 ' A' ' 56' ' ' ILE . 50.0 m-70 -93.5 42.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.508 ' HG2' HG23 ' A' ' 77' ' ' VAL . 3.3 tp60 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 17.4 p-80 -109.48 120.92 43.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 t -50.82 127.29 18.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.589 ' HD3' ' CZ ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -82.78 21.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' A' ' 68' ' ' ARG . 24.7 m-85 -121.12 -54.94 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.68 12.17 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp 46.65 49.96 13.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -112.27 117.83 33.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 14.6 ptmt -90.05 136.81 32.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.406 ' HB3' ' OD1' ' A' ' 79' ' ' ASN . 12.0 m-85 -118.54 154.8 31.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -70.46 -52.49 21.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' LYS . 66.3 m-20 -116.68 106.43 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.508 HG23 ' HG2' ' A' ' 65' ' ' GLN . 14.4 p -33.41 -32.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 76' ' ' ASP . 25.7 mtmm -43.44 -55.98 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 80' ' ' LEU . 7.3 p30 -62.07 -48.24 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 65' ' ' GLN . 51.6 tp -45.24 -39.42 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 31.3 mm -56.42 -50.92 70.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -64.67 -43.54 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -50.33 -39.24 45.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.535 HG23 ' HB2' ' A' ' 88' ' ' HIS . 80.6 mt -70.2 -49.62 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -69.78 -11.85 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.84 -37.76 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.48 -52.62 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.535 ' HB2' HG23 ' A' ' 84' ' ' ILE . 37.7 m-70 -99.75 54.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.0 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.494 ' HB3' ' N ' ' A' ' 19' ' ' SER . 15.3 mtmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -28.53 24.91 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.662 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.1 m-30 -70.32 101.95 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -93.07 144.61 25.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -83.76 121.82 76.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.515 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.1 Cg_endo -69.76 1.28 4.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -111.9 -33.45 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 2.4 p -146.2 -175.01 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -86.74 35.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 45.9 t80 -85.56 153.41 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -147.77 151.99 36.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.494 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -170.34 118.16 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -72.46 48.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.461 HG13 ' C ' ' A' ' 20' ' ' ALA . 78.2 mt -155.45 115.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 13.5 tppt? -46.53 -60.78 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.74 -47.96 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.0 m120 -52.27 -67.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 10' ' ' TYR . 22.8 tp -39.02 -40.73 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 66.1 m-80 -64.13 -54.57 31.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -61.06 -36.86 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.732 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 59.6 t60 -65.89 -30.9 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.515 HD21 ' HD2' ' A' ' 13' ' ' PRO . 13.6 mt -75.11 -25.99 58.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -65.94 -40.57 91.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -62.44 -27.44 69.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.885 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mttt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.809 0.338 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.612 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 24.3 m-85 -89.75 92.68 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.9 150.28 44.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.443 ' HA ' HD11 ' A' ' 52' ' ' LEU . 51.8 t -69.37 135.99 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.94 18.45 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.2 m-85 -127.2 -34.48 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -141.07 -177.11 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.9 t -84.71 36.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.422 ' CG ' ' N ' ' A' ' 45' ' ' THR . 16.1 t80 -90.67 157.5 17.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.422 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 19.6 p -148.49 156.55 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.8 t -150.92 153.37 35.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.49 36.59 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.67 107.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.612 ' HD3' ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -39.17 -50.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.16 -59.69 8.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -48.54 -48.44 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.486 HD22 ' CB ' ' A' ' 37' ' ' PHE . 24.4 tp -47.32 -44.71 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -57.16 -49.48 75.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.7 t -53.98 -43.57 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -50.83 -41.46 57.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.812 HG23 ' HB2' ' A' ' 60' ' ' HIS . 48.9 mt -77.92 -36.46 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.34 -9.32 58.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' HG2' HG23 ' A' ' 59' ' ' VAL . 4.9 ptm180 -117.31 -32.97 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 58' ' ' ARG . 63.9 t -95.8 -63.22 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.812 ' HB2' HG23 ' A' ' 56' ' ' ILE . 52.0 m-70 -93.55 42.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.477 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 1.8 tt0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.785 0.326 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 15.9 p-80 -99.32 115.41 29.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 t -49.11 120.1 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 12.43 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.427 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 40.6 m-85 -110.64 -48.98 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -121.13 23.89 10.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt 38.89 49.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 66' ' ' HIS . 13.8 ttmt -99.8 173.57 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -121.84 126.72 49.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.512 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 9.4 m-85 -127.26 -28.98 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 8.3 t 52.52 25.01 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.504 ' CG ' ' O ' ' A' ' 75' ' ' SER . 17.1 m-20 -164.3 105.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.61 HG13 ' N ' ' A' ' 78' ' ' LYS . 6.6 p -48.84 -55.09 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.61 ' N ' HG13 ' A' ' 77' ' ' VAL . 29.5 mttm -35.35 -60.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.99 -50.09 72.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.477 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 51.0 tp -46.28 -36.31 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 77' ' ' VAL . 47.0 mm -59.92 -63.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -50.07 -42.2 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.512 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 24.3 t60 -57.1 -60.16 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.543 HG23 ' HB2' ' A' ' 88' ' ' HIS . 89.5 mt -52.92 -44.7 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -68.13 -16.07 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.81 -66.66 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.89 -52.22 13.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.543 ' HB2' HG23 ' A' ' 84' ' ' ILE . 47.5 m-70 -91.84 34.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HA ' ' C ' ' A' ' 19' ' ' SER . 8.8 mtpm? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.553 0.692 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 54.1 Cg_endo -69.74 -31.64 20.24 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 3.0 m-30 -57.59 99.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 33.1 mmtp -92.79 151.53 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 41.7 t -89.09 120.35 69.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.622 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.8 Cg_endo -69.79 2.37 3.61 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -112.28 -33.6 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 p -142.29 -174.34 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -86.59 34.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.75 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 66.5 t80 -85.55 151.01 24.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -138.09 155.51 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.453 ' C ' ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -160.07 173.6 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.92 -27.21 7.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 23' ' ' ALA . 5.2 mp -100.65 134.99 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.511 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -55.77 -44.01 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -53.13 -49.96 65.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.069 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.547 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.1 t-20 -50.17 -60.21 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.5 tp -46.79 -44.62 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 71.1 m-80 -60.75 -53.2 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -64.1 -31.22 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.75 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.7 t60 -69.21 -35.28 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.622 HD21 ' HD2' ' A' ' 13' ' ' PRO . 10.6 mt -72.88 -20.46 61.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.1 mtt-85 -59.07 -43.09 91.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -65.81 -19.36 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mttt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 38.6 m-85 -90.66 109.12 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.22 155.92 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -82.39 138.15 34.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.3 23.08 1.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -130.55 -36.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 p -142.49 -175.02 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 t -82.6 36.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -87.87 152.04 22.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 p -147.18 152.99 39.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -152.64 156.65 39.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.2 mt -90.45 -27.47 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -100.28 100.68 11.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 6.6 ptpt -39.17 -48.82 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -53.95 -44.1 71.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -61.28 -39.64 91.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.333 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 37' ' ' PHE . 19.3 tp -54.61 -45.26 73.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HG2' ' N ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -56.25 -36.88 69.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.577 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 84.3 t -66.81 -44.3 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -52.06 -39.56 59.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.9 mt -79.01 -32.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 20.0 mm-40 -79.88 -10.56 59.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' HD2' HG12 ' A' ' 54' ' ' VAL . 6.1 ptm180 -112.67 -39.16 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.7 t -88.14 -67.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -88.3 39.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HD2' ' C ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.636 ' HB3' HD22 ' A' ' 80' ' ' LEU . 13.2 mm100 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.904 0.383 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -106.54 111.03 23.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.03 113.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -69.47 -2.69 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.483 ' CE2' ' HD3' ' A' ' 68' ' ' ARG . 75.7 m-85 -93.97 -64.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.0 p -104.63 25.66 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 36.25 45.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.487 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 12.4 ttmm -94.1 146.07 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -93.33 127.73 39.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.487 ' CE1' ' HG2' ' A' ' 72' ' ' LYS . 27.2 m-85 -129.17 134.09 47.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 m -76.73 -50.14 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.42 ' HB2' ' ND2' ' A' ' 79' ' ' ASN . 1.6 m-20 -106.95 133.11 52.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.3 p -66.25 -41.92 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.425 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -42.44 -47.39 4.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 76' ' ' ASP . 68.1 m-20 -67.44 -50.17 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 65' ' ' GLN . 59.3 tp -45.83 -44.41 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.5 mm -49.1 -54.43 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -60.79 -48.03 83.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -50.36 -47.57 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' HIS . 62.8 mt -61.44 -49.82 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -63.85 -17.68 63.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -90.84 -66.17 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.65 -52.03 14.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 84' ' ' ILE . 22.9 m-70 -99.44 42.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.851 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.1 Cg_endo -69.83 -35.78 11.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.448 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 32.7 m-85 -68.72 127.22 32.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -116.78 150.97 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.622 ' HA ' HD11 ' A' ' 25' ' ' LEU . 43.7 t -81.01 128.38 71.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.73 -11.38 30.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -101.56 -41.6 6.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 7.8 p -132.83 -176.81 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -87.63 34.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 31.1 t80 -82.69 156.69 23.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -148.38 156.53 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.069 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -158.91 115.02 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -45.08 -29.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mt -92.32 142.64 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -71.71 -52.98 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -50.71 -37.05 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -52.91 -61.23 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' A' ' 12' ' ' CYS . 24.6 tp -41.2 -42.88 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.456 ' HA ' HD12 ' A' ' 29' ' ' LEU . 9.8 m-20 -58.58 -51.36 70.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -65.57 -42.09 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.585 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 43.0 t60 -51.89 -34.38 40.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.457 HD21 ' HD2' ' A' ' 13' ' ' PRO . 9.0 mt -70.75 -19.43 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 27' ' ' VAL . 13.3 mmm-85 -57.98 -39.67 78.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -72.73 -18.58 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.925 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.855 0.359 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 6.3 m-85 -93.98 98.14 10.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.2 150.98 47.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.0 t -73.61 140.1 45.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.22 15.42 5.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.0 m-85 -124.19 -33.34 3.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 p -144.12 -175.38 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -85.0 35.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.434 ' CG ' ' N ' ' A' ' 45' ' ' THR . 51.3 t80 -88.3 159.26 18.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 12.8 p -149.63 150.28 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.72 152.85 42.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -95.21 32.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -168.91 126.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.622 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 4.5 mttm -56.0 -63.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.61 -48.46 3.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -60.11 -55.43 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 37' ' ' PHE . 20.9 tp -43.18 -41.38 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -57.68 -44.73 86.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.32 -42.2 95.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -47.01 -39.46 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.675 HG23 ' HB2' ' A' ' 60' ' ' HIS . 21.3 mt -78.51 -36.51 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.31 -10.0 59.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HG2' HG23 ' A' ' 59' ' ' VAL . 2.7 ptm180 -113.26 -37.82 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' HG2' ' A' ' 58' ' ' ARG . 93.1 t -92.12 -63.19 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.056 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.675 ' HB2' HG23 ' A' ' 56' ' ' ILE . 72.3 m-70 -90.51 37.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.42 ' CB ' HD22 ' A' ' 80' ' ' LEU . 28.5 mt-30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.819 0.342 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 23.2 p-80 -119.05 116.05 25.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.4 t -48.87 156.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.513 ' HD3' ' CD1' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -101.93 -7.1 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.513 ' CD1' ' HD3' ' A' ' 68' ' ' ARG . 8.2 m-85 -100.38 -58.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 71' ' ' LYS . 27.1 p -102.45 16.05 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 70' ' ' CYS . 18.9 mtpt 35.9 45.3 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -100.81 125.43 47.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -79.82 149.14 31.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 75' ' ' SER . 42.2 m-85 -137.78 115.08 11.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 74' ' ' TYR . 84.5 p -34.97 -51.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -119.92 137.33 54.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.86 -39.85 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -39.54 -51.89 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -63.93 -49.32 73.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.42 HD22 ' CB ' ' A' ' 65' ' ' GLN . 40.4 tp -45.36 -41.65 9.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.2 mm -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -62.39 -35.86 80.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -58.58 -39.26 79.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' HIS . 82.4 mt -73.04 -51.62 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -61.3 -21.07 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -97.06 -65.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.36 -52.02 51.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 84' ' ' ILE . 57.3 m-70 -102.83 41.47 1.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.83 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.702 . . . . 0.0 110.835 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 30.9 mttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.0 Cg_endo -69.77 -29.75 23.31 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.566 ' HB3' HD22 ' A' ' 25' ' ' LEU . 42.3 m-85 -77.06 131.23 38.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -118.44 150.71 39.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' CYS . 52.7 t -84.82 123.2 74.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.613 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.78 -4.2 13.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.325 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 29.0 mt-30 -106.56 -37.77 6.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 9.2 p -138.33 -174.7 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -87.41 33.53 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.756 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 49.7 t80 -84.26 143.44 29.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -136.35 137.48 40.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -129.37 143.83 51.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.99 -28.01 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 22' ' ' LYS . 32.1 mt -105.81 155.74 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 21.8 tptp -72.85 -52.17 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.9 -42.46 27.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.065 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' O ' HG12 ' A' ' 27' ' ' VAL . 9.4 t-20 -52.78 -66.22 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 10' ' ' TYR . 35.4 tp -38.63 -41.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 29.6 m-80 -61.92 -44.62 96.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -71.25 -38.65 70.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.756 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 37.9 t60 -64.99 -18.85 65.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.613 HD21 ' HD2' ' A' ' 13' ' ' PRO . 37.3 mt -91.01 -23.52 20.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -57.52 -38.91 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -77.25 -14.15 59.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.414 ' HB3' ' CD ' ' A' ' 14' ' ' GLN . 14.6 m-70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.4 mttp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CB ' HD22 ' A' ' 52' ' ' LEU . 4.3 m-85 -93.44 97.9 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.97 152.12 42.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.93 135.95 37.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.72 18.19 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 2.6 m-85 -126.16 -31.87 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -146.04 -175.13 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -83.8 34.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.425 ' CG ' ' N ' ' A' ' 45' ' ' THR . 45.4 t80 -86.24 158.87 19.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.425 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 14.6 p -150.67 153.84 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.491 ' C ' HD22 ' A' ' 47' ' ' LEU . 4.0 t -148.49 173.44 13.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.491 HD22 ' C ' ' A' ' 46' ' ' CYS . 4.3 mm? -117.22 36.87 4.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 p -174.6 105.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -37.94 -48.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.2 -59.88 6.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -54.84 -48.15 73.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.539 HD22 ' CB ' ' A' ' 37' ' ' PHE . 24.6 tp -48.79 -40.19 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.538 ' HG2' ' N ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -60.54 -37.28 80.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.538 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 87.8 t -67.0 -43.81 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.409 ' CE1' HG21 ' A' ' 59' ' ' VAL . 36.5 t60 -51.88 -37.89 53.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.06 -34.5 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -77.18 -9.85 59.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -113.81 -42.23 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.409 HG21 ' CE1' ' A' ' 55' ' ' HIS . 59.8 t -85.52 -64.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 19.8 m-70 -95.5 44.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.635 ' HB3' HD22 ' A' ' 80' ' ' LEU . 30.3 mt-30 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.817 0.341 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 44.1 p-80 -111.1 134.12 52.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.2 t -47.04 157.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.606 ' HD2' ' CD1' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -101.9 -3.57 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.606 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 21.1 m-85 -105.6 -44.78 4.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' LYS . 28.4 p -113.41 15.26 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' CYS . 6.4 mptt 34.76 54.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 66' ' ' HIS . 20.3 tttm -109.53 112.6 24.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 9.0 ptpp? -67.32 147.74 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -133.91 127.16 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.6 t -46.15 -42.44 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -129.94 158.66 38.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 78' ' ' LYS . 12.9 p -70.03 -46.34 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.535 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -34.75 -62.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -53.38 -51.55 62.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 65' ' ' GLN . 56.0 tp -47.38 -39.74 15.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.7 mm -59.73 -54.45 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -63.44 -47.79 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -43.4 -44.52 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.559 ' O ' ' C ' ' A' ' 88' ' ' HIS . 51.8 mt -66.88 -42.32 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 89' ' ' ASP . 8.4 mmm180 -70.69 -12.8 61.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -97.53 -51.6 4.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.77 -53.2 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.559 ' C ' ' O ' ' A' ' 84' ' ' ILE . 15.8 m-70 -105.05 60.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 85' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.423 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 12.6 mttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.563 0.697 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.3 Cg_endo -69.74 -44.17 2.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 32.9 m-85 -64.37 128.99 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -126.67 151.75 47.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 15' ' ' CYS . 50.8 t -86.07 125.61 67.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -11.09 30.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.484 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 30.8 mt-30 -96.47 -41.59 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 12' ' ' CYS . 11.5 p -134.77 177.37 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 t -82.18 40.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 34.9 t80 -89.26 147.64 24.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.46 150.27 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 t -154.21 142.47 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.01 7.79 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.6 mm -124.67 119.47 56.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -53.4 -49.26 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -54.64 -46.59 73.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -46.95 -60.79 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 tp -41.64 -47.07 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.564 ' HA ' HD12 ' A' ' 29' ' ' LEU . 6.5 m-20 -55.96 -51.02 69.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -63.24 -51.66 68.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -44.7 -47.67 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 26' ' ' ASN . 12.9 mt -51.36 -30.5 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -49.42 -29.58 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -73.43 -28.13 61.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.484 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 61.5 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.839 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.6 mttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.828 0.346 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 49' ' ' LYS . 35.2 m-85 -94.62 95.25 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 144.56 54.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.1 t -70.33 139.03 51.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.71 21.34 2.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.3 m-85 -130.83 -32.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.4 p -144.24 -179.31 6.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 m -81.92 38.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -89.07 150.98 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -149.81 149.72 30.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.4 t -150.02 159.6 44.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.78 35.22 1.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.4 t -162.98 106.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 13.9 ptmt -46.77 -51.41 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.59 -53.91 8.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 51' ' ' HIS . 2.5 t-160 -53.81 -53.5 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 37' ' ' PHE . 22.3 tp -40.54 -47.3 2.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -53.36 -46.22 69.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.0 -41.14 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.403 ' O ' HG23 ' A' ' 59' ' ' VAL . 26.0 t60 -51.48 -39.81 58.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.587 HG23 ' HB2' ' A' ' 60' ' ' HIS . 18.1 mt -78.09 -39.76 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.22 -14.01 62.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' HG2' HG23 ' A' ' 59' ' ' VAL . 5.8 ptm180 -110.33 -37.75 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.429 HG23 ' HG2' ' A' ' 58' ' ' ARG . 63.6 t -90.72 -64.42 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.587 ' HB2' HG23 ' A' ' 56' ' ' ILE . 14.3 m-70 -99.24 54.35 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.551 ' HB3' HD22 ' A' ' 80' ' ' LEU . 17.6 mm-40 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.553 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 33.2 p-80 -131.56 111.73 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 27.5 t -46.36 160.25 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -109.85 -18.68 13.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.448 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 45.8 m-85 -77.93 -56.09 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 20.1 p -107.57 -4.62 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 67' ' ' CYS . 39.0 mmtm 65.96 28.23 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 4.3 tptm -79.93 124.86 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -80.36 154.61 27.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.466 ' CE1' ' HG2' ' A' ' 72' ' ' LYS . 48.9 m-85 -151.18 131.61 13.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.4 t -61.12 -57.01 14.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.84 134.4 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 78' ' ' LYS . 9.6 p -60.02 -41.02 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' N ' HG13 ' A' ' 77' ' ' VAL . 7.8 mtpm? -39.42 -55.81 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.1 -52.29 65.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 65' ' ' GLN . 59.5 tp -42.52 -44.51 4.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.4 mm -52.97 -51.19 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -39.96 94.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -47.31 -47.74 25.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.843 HG23 ' HB2' ' A' ' 88' ' ' HIS . 38.2 mt -65.44 -47.66 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 89' ' ' ASP . 32.5 mmt-85 -53.79 -25.23 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -97.81 -66.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.7 62.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.843 ' HB2' HG23 ' A' ' 84' ' ' ILE . 44.2 m-70 -107.58 44.06 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 85' ' ' ARG . 37.6 p-10 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.537 ' HB3' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.78 -44.51 2.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -59.94 101.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -94.46 151.14 19.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 15' ' ' CYS . 43.9 t -81.88 124.92 78.83 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.4 Cg_endo -69.73 -1.45 8.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -109.4 -33.96 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.6 p -141.15 -175.12 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 p -86.88 31.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 69.0 t80 -81.44 156.21 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 8' ' ' LYS . . . -145.78 148.93 33.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.537 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -155.62 118.61 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 8' ' ' LYS . . . -79.0 31.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.454 HG13 ' C ' ' A' ' 20' ' ' ALA . 61.0 mt -152.68 105.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.535 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -33.9 -54.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.43 -47.92 18.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.47 ' O ' HG12 ' A' ' 27' ' ' VAL . 44.6 m-20 -55.37 -65.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 10' ' ' TYR . 22.8 tp -41.61 -37.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 68.9 m-80 -65.01 -48.13 75.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -69.64 -28.67 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.678 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 66.2 t60 -70.03 -40.21 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.809 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.412 HD21 ' HD2' ' A' ' 13' ' ' PRO . 12.6 mt -68.37 -18.33 64.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.573 ' CE ' ' CE1' ' A' ' 28' ' ' HIS . 0.7 OUTLIER -65.77 -18.79 65.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.893 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' CE ' HD21 ' A' ' 47' ' ' LEU . 5.6 mmtp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.808 0.337 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 22.0 m-85 -90.26 107.78 19.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.7 146.35 31.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.688 ' HA ' HD11 ' A' ' 52' ' ' LEU . 47.6 t -69.11 139.89 54.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -86.59 20.05 2.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -128.22 -34.89 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.9 p -140.87 -176.76 4.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.3 p -84.26 33.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -87.41 155.52 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 p -146.55 155.34 42.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.402 ' C ' HD22 ' A' ' 47' ' ' LEU . 2.5 t -147.28 169.89 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.451 HD21 ' CE ' ' A' ' 36' ' ' LYS . 4.0 mm? -109.52 36.03 3.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -172.21 105.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 8.3 pttt -41.08 -47.71 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.29 -51.58 35.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -58.24 -46.71 85.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 39' ' ' CYS . 32.3 tp -44.15 -41.92 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -58.43 -46.79 85.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.9 t -58.33 -40.15 76.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 59' ' ' VAL . 33.2 t60 -52.91 -39.05 62.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 60' ' ' HIS . 23.9 mt -79.51 -30.78 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -77.8 -8.97 58.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -117.41 -38.12 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.417 HG21 ' CE1' ' A' ' 55' ' ' HIS . 71.8 t -88.85 -65.4 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.515 ' HB2' HG23 ' A' ' 56' ' ' ILE . 14.1 m-70 -97.51 48.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' HD22 ' A' ' 80' ' ' LEU . 54.6 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.806 0.336 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -104.99 110.93 23.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.7 t -47.85 123.65 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.512 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -83.65 25.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -120.68 -44.19 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 5.9 p -129.0 8.71 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? 61.87 31.04 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 7.4 tptm -80.91 123.29 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.93 154.28 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -153.64 138.28 16.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.0 t -76.03 -44.82 37.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.6 123.25 46.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.0 p -50.44 -37.96 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -43.76 -46.66 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.04 -50.25 62.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 65' ' ' GLN . 52.2 tp -44.79 -41.82 7.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.79 -49.47 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -61.75 -42.22 98.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -52.11 -58.84 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 88' ' ' HIS . 27.5 mt -49.52 -48.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -66.22 -12.68 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -95.43 -63.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.71 -50.64 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 84' ' ' ILE . 59.0 m-70 -95.44 46.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 89' ' ' ASP . 8.2 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.706 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 35.9 mtpt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.6 Cg_endo -69.78 -38.22 8.04 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.512 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 35.5 m-85 -69.63 119.47 13.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -117.47 151.22 37.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' CYS . 18.2 t -82.04 117.68 69.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 0.51 5.51 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.709 2.273 . . . . 0.0 112.368 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -111.46 -34.94 5.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.483 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.1 p -136.05 -176.04 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.1 m -89.53 39.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 52.0 t80 -93.5 153.86 18.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.32 148.78 23.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -150.02 161.83 41.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.55 -32.06 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.4 mt -91.6 147.76 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.32 -47.64 33.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.76 -39.82 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.509 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.6 m120 -52.8 -48.23 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -54.7 -34.77 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -67.98 -46.64 70.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -69.68 -31.81 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.628 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 54.4 t60 -68.7 -52.59 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.33 -25.53 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -52.07 -43.47 63.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -55.67 -18.59 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 22.7 m-85 -91.6 95.97 10.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.29 149.26 48.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.74 137.43 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -85.02 20.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -128.94 -34.44 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.0 p -143.21 -175.71 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.2 t -83.96 37.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -89.8 157.26 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 p -150.76 152.63 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.4 t -151.94 155.21 37.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.2 mm? -96.39 38.35 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -164.99 131.04 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 9.0 mtpt -63.45 -56.78 13.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.18 -47.38 55.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.55 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -57.74 -49.49 76.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.7 tp -45.63 -44.06 12.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.2 -52.39 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.489 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 83.3 t -49.73 -44.78 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -51.54 -39.19 57.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.3 mt -79.0 -27.19 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.96 -9.96 58.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.474 ' HG2' HG23 ' A' ' 59' ' ' VAL . 5.8 ptm180 -114.16 -37.88 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.474 HG23 ' HG2' ' A' ' 58' ' ' ARG . 91.5 t -89.73 -64.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -93.17 43.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 13.7 mm100 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.819 0.342 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 14.2 p-80 -112.3 117.83 33.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.0 t -47.85 157.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.529 ' HD3' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -103.13 -18.95 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.529 ' CD1' ' HD3' ' A' ' 68' ' ' ARG . 6.5 m-85 -87.51 -58.68 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 71' ' ' LYS . 29.6 p -99.68 16.92 21.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 70' ' ' CYS . 51.2 mmtt 33.95 39.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 12.9 tttp -103.58 121.14 42.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 0.0 OUTLIER -88.36 144.17 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.546 ' CD1' HD13 ' A' ' 80' ' ' LEU . 10.2 m-85 -120.86 135.03 55.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' TYR . 14.1 t -36.46 -53.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -123.21 151.25 42.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.9 p -63.57 -47.16 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.527 ' N ' HG13 ' A' ' 77' ' ' VAL . 9.8 mmmt -36.8 -55.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -60.29 -52.59 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.546 HD13 ' CD1' ' A' ' 74' ' ' TYR . 57.6 tp -46.26 -44.38 16.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.5 mm -48.98 -55.26 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -61.53 -44.95 96.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -48.64 -41.03 29.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 88' ' ' HIS . 88.7 mt -70.8 -48.6 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -64.89 -20.12 66.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.69 -66.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.57 -53.07 47.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' ILE . 62.9 m-70 -100.97 39.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 69.1 mttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.76 -34.35 14.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.385 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 56.3 m-85 -73.48 117.9 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -113.19 147.49 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 15' ' ' CYS . 22.5 t -81.57 121.37 79.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.722 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.79 -2.96 11.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -108.3 -36.72 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.9 p -138.17 -175.17 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -88.88 36.35 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.762 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 23.8 t80 -87.24 147.86 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.09 156.06 43.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 t -157.4 142.29 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.9 25.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -147.55 140.54 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.453 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 19.6 tptm -64.86 -54.2 34.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.71 -40.42 40.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.402 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.6 m120 -53.74 -64.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 10' ' ' TYR . 26.5 tp -41.12 -37.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 51.8 m-80 -66.34 -53.11 40.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -61.79 -37.11 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.762 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 55.2 t60 -65.86 -35.9 81.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD21 ' HD2' ' A' ' 13' ' ' PRO . 19.2 mt -68.79 -30.36 68.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -53.03 -32.49 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -71.23 -33.04 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 14.7 mmtt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 12.0 m-85 -88.9 106.56 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.76 136.77 35.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.48 ' HA ' HD11 ' A' ' 52' ' ' LEU . 48.8 t -56.18 131.16 47.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.08 14.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.602 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 18.6 m-85 -124.24 -29.71 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 44' ' ' PHE . 16.8 p -145.58 -175.22 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.5 m -84.67 28.52 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.446 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 29.8 t80 -79.78 151.72 30.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.0 p -143.59 154.05 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.35 173.55 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CD2' ' HE2' ' A' ' 36' ' ' LYS . 90.2 mt -113.58 34.49 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -167.3 124.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -61.03 -53.6 55.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.52 -44.52 22.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -65.62 -50.53 64.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 39' ' ' CYS . 21.3 tp -42.25 -46.35 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -51.87 -50.81 60.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.522 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 59.2 t -51.58 -55.56 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.517 ' CE1' HG11 ' A' ' 59' ' ' VAL . 37.7 t60 -38.28 -47.65 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 60' ' ' HIS . 59.7 mt -69.54 -42.32 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.6 -8.51 54.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 -112.82 -29.79 7.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.591 ' CG1' ' N ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -113.33 -48.61 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.899 ' HB2' HG23 ' A' ' 56' ' ' ILE . 99.6 m-70 -97.03 42.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HB3' HD22 ' A' ' 80' ' ' LEU . 2.6 mm-40 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 36.1 p-80 -131.86 112.73 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 3.8 t -46.76 158.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -107.47 -10.15 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 88.1 m-85 -93.57 -44.11 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' LYS . 25.1 p -122.06 20.04 10.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' CYS . 7.2 mptt 35.59 44.43 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -99.99 127.27 46.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' GLN . 28.0 mttp -83.25 142.9 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 26.7 m-85 -126.74 119.33 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 74' ' ' TYR . 13.3 p -37.07 -46.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.4 122.79 28.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.8 p -42.26 -45.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.492 ' N ' HG13 ' A' ' 77' ' ' VAL . 4.3 mmmm -33.29 -50.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -66.71 -49.2 66.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 65' ' ' GLN . 50.2 tp -46.29 -43.99 16.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.0 mm -52.96 -55.78 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -63.28 -46.36 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.488 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 5.8 t60 -45.19 -47.89 12.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 88' ' ' HIS . 75.2 mt -65.23 -40.15 87.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 11.1 mmm180 -63.37 -25.83 68.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -95.71 -66.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.44 65.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.542 ' HB2' HG23 ' A' ' 84' ' ' ILE . 23.2 m-70 -106.94 41.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 26.2 mttm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.74 -37.43 9.23 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.354 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.487 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 57.8 m-85 -71.57 131.77 43.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.76 150.77 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.42 119.27 75.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.3 Cg_endo -69.82 0.46 5.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.496 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 27.0 mt-30 -112.15 -35.63 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.9 p -135.63 -174.7 3.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m -89.74 36.42 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.755 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 60.2 t80 -89.07 155.85 19.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.4 138.34 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 p -130.65 158.61 39.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.26 -37.02 13.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.719 HG22 ' H ' ' A' ' 23' ' ' ALA . 4.3 mp -94.07 139.4 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -56.79 -37.56 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.719 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -68.78 -38.96 80.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.79 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.5 m120 -50.01 -54.69 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 10' ' ' TYR . 33.5 tp -47.75 -41.57 23.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 4.2 m-80 -62.44 -51.67 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.79 HG12 ' O ' ' A' ' 24' ' ' ASN . 2.2 p -61.15 -21.84 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.755 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 35.4 t60 -86.05 -23.37 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' HIS . 13.1 mt -83.51 -23.53 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.523 ' HG2' ' C ' ' A' ' 27' ' ' VAL . 7.9 mmm180 -42.02 -52.81 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -23.08 66.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.496 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 32.3 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 mttm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.88 ' HB2' HD22 ' A' ' 52' ' ' LEU . 2.5 m-85 -86.81 87.47 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.0 138.17 57.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.14 135.61 57.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -82.31 15.63 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.9 m-85 -126.55 -37.63 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -137.64 -176.66 4.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.8 m -83.72 36.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' THR . 21.6 t80 -86.23 158.29 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.426 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.1 p -151.44 152.35 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.456 ' C ' HD22 ' A' ' 47' ' ' LEU . 4.2 t -151.96 171.63 17.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.456 HD22 ' C ' ' A' ' 46' ' ' CYS . 4.1 mm? -114.26 34.68 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.9 t -159.66 126.71 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.575 ' HD3' ' CE1' ' A' ' 37' ' ' PHE . 15.3 mmtp -57.96 -65.36 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.62 -49.3 7.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -55.07 -51.98 64.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.88 HD22 ' HB2' ' A' ' 37' ' ' PHE . 38.1 tp -45.23 -46.11 12.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -57.92 -44.39 86.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.36 -42.43 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -49.2 -42.71 41.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.829 HG23 ' HB2' ' A' ' 60' ' ' HIS . 31.1 mt -76.05 -42.21 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.83 -13.45 61.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.424 ' HG2' HG23 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -110.6 -33.8 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 58' ' ' ARG . 85.5 t -98.2 -61.25 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.829 ' HB2' HG23 ' A' ' 56' ' ' ILE . 32.0 m-70 -99.3 56.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.6 ' OE1' HG23 ' A' ' 77' ' ' VAL . 24.4 mt-30 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.524 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 7.0 p-80 -98.29 129.24 45.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.71 125.67 25.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.491 ' CZ ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 ppt_? -81.57 20.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CZ ' ' CZ ' ' A' ' 68' ' ' ARG . 98.4 m-85 -123.41 -48.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 71' ' ' LYS . 28.6 p -123.35 24.86 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 70' ' ' CYS . 7.5 mmpt? 37.27 54.33 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -115.26 119.76 37.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -76.41 148.53 37.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -136.7 116.77 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -39.63 -45.18 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.18 136.57 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.6 HG23 ' OE1' ' A' ' 65' ' ' GLN . 7.3 p -63.68 -42.88 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.454 ' N ' HG13 ' A' ' 77' ' ' VAL . 32.2 mtmt -38.89 -53.23 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.02 -50.88 68.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD22 ' CB ' ' A' ' 65' ' ' GLN . 57.8 tp -44.7 -42.39 7.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.5 mm -55.98 -58.88 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -59.17 -46.47 88.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -44.77 -44.55 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 88' ' ' HIS . 37.3 mt -67.63 -50.99 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -63.1 -19.05 64.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.91 -65.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.2 -50.91 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.513 ' HB2' HG23 ' A' ' 84' ' ' ILE . 62.2 m-70 -93.99 36.34 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.592 0.71 . . . . 0.0 110.863 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -43.97 -51.32 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -63.88 96.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.789 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.63 -84.68 1.58 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -106.71 83.22 1.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.935 0.398 . . . . 0.0 110.845 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -81.6 162.09 23.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.89 159.36 31.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 50.2 mttt 55.45 48.98 4.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.608 0.718 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 53.4 Cg_endo -69.83 -32.06 19.01 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.296 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 46.3 m-85 -74.89 117.68 17.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -109.51 152.82 24.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.468 ' HA ' HD11 ' A' ' 25' ' ' LEU . 44.1 t -90.67 119.65 68.98 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.543 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.81 1.54 4.37 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.304 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -109.34 -33.25 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.498 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 1.8 p -144.87 -175.0 4.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 t -87.51 35.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.561 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 48.3 t80 -85.88 157.4 20.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -154.33 157.35 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 t -158.07 166.18 33.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -101.09 23.17 11.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 20' ' ' ALA . 66.2 mt -152.93 134.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.47 ' CD ' ' H ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -59.29 -53.63 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.819 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.67 -49.66 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.427 ' O ' HG12 ' A' ' 27' ' ' VAL . 20.5 m-20 -52.85 -49.89 64.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 10' ' ' TYR . 35.0 tp -52.42 -35.88 53.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -67.83 -54.71 16.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -60.4 -34.8 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.11 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.561 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 59.9 t60 -65.58 -37.52 86.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.543 HD21 ' HD2' ' A' ' 13' ' ' PRO . 31.0 mt -66.31 -29.4 69.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' O ' HG23 ' A' ' 33' ' ' THR . 62.7 mtp180 -60.15 -34.8 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -63.8 -37.26 86.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 49.1 m-70 -61.82 -32.41 72.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.831 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 30' ' ' ARG . 29.4 p -43.54 160.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.01 -112.98 1.46 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 7.5 tt0 -91.05 112.16 23.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -120.76 106.93 12.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 49' ' ' LYS . 66.0 m-85 -91.36 106.19 18.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.06 149.34 25.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' HA ' HD11 ' A' ' 52' ' ' LEU . 41.1 t -76.29 137.11 39.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -86.5 22.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.42 ' HB2' ' NE2' ' A' ' 60' ' ' HIS . 3.8 m-85 -130.97 -35.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.6 p -141.97 -176.16 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.8 p -83.14 36.93 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -89.32 155.78 19.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.3 p -148.74 152.68 37.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.6 t -152.92 155.03 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.03 -31.14 22.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.8 t -98.96 112.84 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 25.8 ttmt -52.13 -46.57 65.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.64 -39.67 54.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -67.59 -49.84 61.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.342 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 37' ' ' PHE . 28.7 tp -43.68 -46.05 7.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -55.11 -46.03 75.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.2 t -60.8 -41.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.43 ' CE1' HG21 ' A' ' 59' ' ' VAL . 16.4 t60 -51.06 -35.69 35.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.508 HG23 ' HB2' ' A' ' 60' ' ' HIS . 47.9 mt -79.55 -33.88 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -76.9 -9.62 58.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -114.15 -41.06 3.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 55' ' ' HIS . 70.9 t -86.73 -64.9 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.508 ' HB2' HG23 ' A' ' 56' ' ' ILE . 60.4 m-70 -89.81 35.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.23 139.87 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.5 mttp 64.62 55.19 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.1 tt -100.94 152.53 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -45.61 104.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -99.23 133.56 43.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -104.15 115.8 31.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.33 120.23 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 ppt_? -75.38 6.31 4.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -105.93 -52.1 2.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.4 p -118.97 25.16 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' CYS . 8.7 mmpt? 36.27 47.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -109.07 121.05 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.71 150.86 39.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -141.11 116.56 10.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.7 m -46.96 -48.52 21.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.427 ' HB2' ' ND2' ' A' ' 79' ' ' ASN . 22.6 m-20 -113.84 110.73 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 78' ' ' LYS . 8.3 p -44.73 -43.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 77' ' ' VAL . 15.1 mmmt -37.93 -48.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 76' ' ' ASP . 52.6 m-80 -64.98 -50.36 66.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.0 tp -43.49 -40.12 3.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.3 mm -60.08 -57.39 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -56.6 -39.86 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -53.5 -57.61 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 88' ' ' HIS . 89.8 mt -50.35 -42.74 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -71.53 -15.52 62.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -94.93 -64.73 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.78 -52.39 8.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.547 ' HB2' HG23 ' A' ' 84' ' ' ILE . 68.7 m-70 -87.49 37.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -70.28 112.78 13.87 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 167.26 25.04 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.335 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -80.42 -12.38 59.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -130.18 130.79 45.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.923 0.392 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.1 m -72.81 115.48 12.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.29 -59.33 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -134.45 113.35 11.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -65.9 116.71 7.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.16 -140.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 20.9 mtmm 56.24 54.12 8.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.525 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.2 Cg_endo -69.72 -39.77 6.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.266 . . . . 0.0 112.392 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.525 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 60.8 m-85 -72.43 116.72 13.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -110.65 151.05 28.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' HA ' HD11 ' A' ' 25' ' ' LEU . 48.2 t -82.19 121.19 78.54 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.505 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.77 -1.63 8.8 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.741 2.294 . . . . 0.0 112.351 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -110.35 -35.52 6.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.464 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -137.15 -174.98 3.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -90.09 37.35 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.706 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 46.1 t80 -86.88 156.26 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 8' ' ' LYS . . . -150.89 150.51 30.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -146.97 164.36 33.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.411 ' C ' HG13 ' A' ' 21' ' ' ILE . . . -104.98 22.59 15.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.411 HG13 ' C ' ' A' ' 20' ' ' ALA . 79.0 mt -149.56 141.53 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 4.6 tppp? -62.69 -52.17 64.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.03 -36.56 60.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.43 ' O ' HG12 ' A' ' 27' ' ' VAL . 28.4 m-20 -55.12 -68.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 12' ' ' CYS . 23.1 tp -37.31 -41.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 34.8 m-80 -61.99 -50.35 72.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -64.83 -35.6 75.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.706 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 42.6 t60 -68.2 -28.55 67.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.505 HD21 ' HD2' ' A' ' 13' ' ' PRO . 26.7 mt -77.51 -21.57 52.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.835 ' O ' HG23 ' A' ' 33' ' ' THR . 76.1 mtp180 -54.54 -44.6 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -67.07 -18.62 65.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -84.42 20.73 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 30' ' ' ARG . 80.3 p -86.65 147.12 26.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.22 61.85 0.53 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' CG ' ' CE1' ' A' ' 37' ' ' PHE . 7.0 pt-20 -127.05 169.95 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -71.81 97.82 1.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.455 ' CE1' ' CG ' ' A' ' 35' ' ' GLU . 3.4 m-85 -89.64 108.05 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.52 152.69 39.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' HA ' HD11 ' A' ' 52' ' ' LEU . 40.7 t -72.99 137.13 45.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.54 21.29 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.436 ' HE2' HG21 ' A' ' 63' ' ' ILE . 1.6 m-85 -130.6 -34.73 1.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.29 -175.07 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.7 m -84.26 32.63 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 45' ' ' THR . 50.4 t80 -85.35 159.25 20.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.411 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 16.8 p -149.55 154.11 38.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.78 165.54 31.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.7 mt -110.29 33.15 4.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -172.62 104.96 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -36.67 -48.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.65 -53.88 9.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -60.56 -47.84 84.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 39' ' ' CYS . 17.3 tp -48.2 -44.38 32.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.8 ttmm -57.73 -45.88 85.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.14 -42.74 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -46.9 -41.24 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.997 HG23 ' HB2' ' A' ' 60' ' ' HIS . 29.0 mt -77.15 -39.13 28.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.49 -11.18 60.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.4 ptm85 -115.22 -33.69 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 61.5 t -98.29 -61.65 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.997 ' HB2' HG23 ' A' ' 56' ' ' ILE . 77.2 m-70 -92.86 43.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -77.75 150.24 34.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt 63.77 55.05 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.436 HG21 ' HE2' ' A' ' 41' ' ' TYR . 20.9 tt -130.33 154.36 40.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -44.47 149.89 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.518 HE22 ' N ' ' A' ' 77' ' ' VAL . 20.4 mt-30 -140.82 122.56 15.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 49.4 p-80 -112.8 103.08 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 17.1 t -46.57 158.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -106.47 -14.9 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.441 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 94.8 m-85 -85.43 -52.08 6.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 71' ' ' LYS . 17.9 p -116.59 23.25 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' CYS . 26.3 mmmt 35.32 35.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' CYS . 26.8 mttm -90.29 140.64 29.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -88.27 144.67 26.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.469 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 12.5 m-85 -135.46 125.84 26.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 4.5 m -83.22 24.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 75' ' ' SER . 6.2 m-20 -170.4 141.46 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.518 ' N ' HE22 ' A' ' 65' ' ' GLN . 13.3 p -80.71 -43.43 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.486 ' N ' HG13 ' A' ' 77' ' ' VAL . 32.3 mmtm -46.57 -47.42 19.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -70.75 -44.81 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 65' ' ' GLN . 63.4 tp -48.61 -37.32 17.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 77' ' ' VAL . 43.4 mm -61.14 -56.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -59.68 -48.05 83.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.469 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 6.2 t60 -43.56 -46.02 6.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.963 HG23 ' HB2' ' A' ' 88' ' ' HIS . 48.0 mt -71.25 -46.71 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -13.45 58.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -97.26 -52.45 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.01 -53.62 3.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.963 ' HB2' HG23 ' A' ' 84' ' ' ILE . 29.6 m-70 -90.62 50.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.6 128.0 65.67 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 134.32 27.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -94.71 97.77 10.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -83.03 42.53 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 m -92.68 166.6 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.21 78.78 1.34 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.6 p -119.55 96.56 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -51.66 109.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.55 -140.5 5.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 41.5 mttm 43.36 53.44 9.62 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.78 -38.0 8.36 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 25' ' ' LEU . 57.6 m-85 -69.14 128.59 37.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.05 151.3 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' CYS . 48.0 t -85.37 119.04 71.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.621 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.79 0.78 5.17 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -111.26 -33.29 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -140.59 -175.1 4.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.5 m -88.58 37.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.761 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 39.2 t80 -90.13 152.69 21.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.94 151.96 32.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.5 164.95 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.64 18.95 21.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.081 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 76.1 mt -147.33 133.68 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.505 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 19.2 tptt -54.42 -54.68 37.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -48.64 -45.41 38.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.454 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.6 m120 -50.25 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 10' ' ' TYR . 22.4 tp -37.05 -43.9 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 43.1 m-80 -59.98 -51.08 71.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -63.19 -34.91 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.761 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 58.1 t60 -66.99 -40.13 87.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.621 HD21 ' HD2' ' A' ' 13' ' ' PRO . 16.5 mt -64.97 -23.29 67.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -58.54 -27.29 64.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.691 ' HB3' HD21 ' A' ' 47' ' ' LEU . 48.2 mttt -76.41 -25.78 54.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -80.58 21.5 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.9 p -109.82 -22.29 11.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.77 -151.37 9.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 14.8 tp10 -82.57 138.4 34.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 110.878 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -119.77 99.71 6.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.613 ' CZ ' ' HD2' ' A' ' 49' ' ' LYS . 30.6 m-85 -89.19 95.43 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.67 155.69 33.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.3 t -77.9 138.7 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -85.66 19.05 2.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -127.25 -38.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -137.6 -175.28 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.1 t -85.21 34.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -87.51 153.48 21.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.4 p -145.91 156.91 43.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.2 t -153.78 164.45 38.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 ' HB3' ' A' ' 31' ' ' LYS . 3.8 mm? -98.66 -14.0 20.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -117.05 103.25 10.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HD2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -42.62 -37.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.94 -59.85 10.1 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -52.07 -45.9 64.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.6 tp -45.07 -43.99 9.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -58.98 -45.07 91.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.67 -38.91 82.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -51.09 -39.71 56.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.681 HG23 ' HB2' ' A' ' 60' ' ' HIS . 33.1 mt -77.83 -37.6 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 3.8 mm-40 -74.17 -9.04 58.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -114.34 -35.92 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.6 t -95.0 -64.32 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.681 ' HB2' HG23 ' A' ' 56' ' ' ILE . 63.6 m-70 -88.21 40.44 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 57' ' ' GLU . 11.3 tppt? -82.22 132.59 35.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt 70.64 56.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.9 tt -105.29 146.76 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -58.37 166.16 1.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.45 ' HB3' HD22 ' A' ' 80' ' ' LEU . 15.1 mm100 -146.01 134.01 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -115.06 112.24 22.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.5 t -46.74 159.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -104.93 -23.61 12.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.416 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 43.9 m-85 -81.47 -67.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 p -84.84 -13.33 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt 62.16 45.14 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -105.4 127.77 53.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -76.04 145.76 39.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.4 ' HH ' ' CE1' ' A' ' 83' ' ' HIS . 37.8 m-85 -134.58 127.43 31.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.1 p -48.41 -50.61 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -122.26 148.68 44.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.9 -38.38 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -40.53 -64.28 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -51.88 -53.41 41.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.45 HD22 ' HB3' ' A' ' 65' ' ' GLN . 64.0 tp -42.51 -45.12 4.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.8 mm -47.85 -61.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -57.97 -48.3 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.4 ' CE1' ' HH ' ' A' ' 74' ' ' TYR . 13.7 t60 -43.35 -46.78 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 88' ' ' HIS . 68.1 mt -67.7 -37.67 79.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.417 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 8.0 mmm180 -69.09 -25.79 64.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -97.38 -66.05 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.37 -53.05 62.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.464 ' C ' ' O ' ' A' ' 84' ' ' ILE . 72.1 m-70 -105.17 39.89 1.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' CB ' ' O ' ' A' ' 85' ' ' ARG . 4.3 p-10 -53.31 120.42 20.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.611 0.72 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 8.04 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.355 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 58.29 36.87 25.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 92' ' ' ASP . 2.1 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.5 p -66.76 147.54 53.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -165.97 138.27 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.43 141.99 6.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 p -95.99 163.76 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 t -56.26 119.45 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.583 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -87.28 -142.49 7.54 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' HB3' ' N ' ' A' ' 19' ' ' SER . 22.3 mtmt -128.12 88.52 52.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.571 0.701 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -36.77 10.14 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.317 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.6 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.4 m-30 -66.01 98.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.88 151.15 19.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' CYS . 53.1 t -84.82 123.26 74.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.43 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.8 0.45 5.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -110.22 -32.96 6.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 17' ' ' TYR . 6.3 p -144.56 -174.95 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.4 m -87.8 39.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.733 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 62.7 t80 -88.36 158.58 18.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -151.27 153.56 35.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.073 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.505 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -170.27 113.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -55.28 -28.48 53.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' ' 24' ' ' ASN . 22.1 mt -77.0 123.1 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 7.6 tptt -58.39 -50.5 73.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.29 70.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.447 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.6 m120 -53.32 -65.46 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 10' ' ' TYR . 28.6 tp -38.81 -42.69 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 21.2 m-80 -61.01 -53.25 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -62.85 -36.5 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.733 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 48.8 t60 -64.61 -29.52 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.43 HD21 ' HD2' ' A' ' 13' ' ' PRO . 77.1 mt -78.23 -18.42 55.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' CD ' ' HA ' ' A' ' 27' ' ' VAL . 56.5 mtp180 -70.15 -35.89 74.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -67.75 -29.61 68.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -62.73 -34.95 78.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.555 ' O ' HD21 ' A' ' 47' ' ' LEU . 30.2 p -59.44 176.12 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.1 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.06 -173.0 39.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 1.4 tp10 -79.41 139.36 37.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -119.95 100.68 7.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 10.9 m-85 -89.11 106.59 18.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.29 155.96 23.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -80.22 140.33 36.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -87.47 19.94 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 60' ' ' HIS . 2.6 m-85 -127.74 -39.59 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.4 p -138.17 -174.58 3.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.5 m -83.25 32.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -84.16 152.92 23.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.2 p -146.91 153.01 39.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.02 143.46 22.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -76.89 -20.99 55.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m -112.9 102.46 10.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -44.28 -47.93 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.22 -50.72 9.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.483 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -63.66 -48.33 77.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.1 tp -41.86 -42.14 2.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.49 -50.0 73.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.511 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 94.3 t -54.58 -44.57 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -50.36 -36.48 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.747 HG23 ' HB2' ' A' ' 60' ' ' HIS . 31.2 mt -80.63 -36.32 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -70.71 -13.99 62.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.2 ptt85 -110.73 -38.62 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 64.7 t -90.28 -63.96 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.747 ' HB2' HG23 ' A' ' 56' ' ' ILE . 33.5 m-70 -97.3 50.78 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' CD ' ' HD2' ' A' ' 62' ' ' LYS . 0.6 OUTLIER -83.95 108.48 16.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.423 ' HD2' ' CD ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER 61.6 55.21 2.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.8 tt -101.87 152.69 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -107.81 122.04 45.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.686 ' HB3' HD22 ' A' ' 80' ' ' LEU . 33.1 mm-40 -82.46 87.72 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.523 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 22.7 p-80 -88.79 119.88 29.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.9 t -56.56 121.12 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.17 3.77 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.838 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.29 -60.19 1.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 71' ' ' LYS . 22.0 p -110.57 24.47 12.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.6 OUTLIER 36.0 49.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -109.44 124.48 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -77.71 150.14 34.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -140.04 125.1 18.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 t -51.34 -61.02 2.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -106.63 128.87 54.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.4 p -54.8 -33.02 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -43.78 -54.51 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -61.02 -52.13 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 65' ' ' GLN . 55.5 tp -41.6 -42.7 2.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.9 mm -55.4 -55.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -61.24 -47.93 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -47.47 -45.26 25.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.814 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.494 HG23 ' HB2' ' A' ' 88' ' ' HIS . 65.7 mt -65.9 -48.09 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 58.8 mtp85 -70.25 -11.42 60.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.43 -53.76 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.95 -52.6 3.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.494 ' HB2' HG23 ' A' ' 84' ' ' ILE . 70.7 m-70 -88.42 49.6 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.44 122.46 72.01 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.618 0.723 . . . . 0.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 120.6 7.36 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -88.58 81.15 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -150.8 131.28 13.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.861 0.362 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -74.71 133.29 42.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.26 -144.71 16.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m 56.81 47.94 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.89 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -59.66 -75.9 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 20' ' ' ALA . . . 159.9 134.65 1.71 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 12.6 mtmt -118.9 81.39 19.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.569 0.699 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.73 -33.29 17.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.395 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.852 ' HB3' HD22 ' A' ' 25' ' ' LEU . 59.7 m-85 -71.97 105.74 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -94.03 149.99 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' CYS . 50.1 t -83.95 124.14 74.96 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.605 0.717 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.422 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.5 Cg_endo -69.73 0.34 5.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.335 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -111.37 -30.94 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 9.7 p -148.21 -175.38 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.8 m -86.79 38.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.674 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 48.1 t80 -89.33 145.96 25.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.498 ' HB1' ' CB ' ' A' ' 8' ' ' LYS . . . -136.03 145.99 46.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.477 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -142.34 119.79 11.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.451 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -55.83 -29.22 59.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -104.5 145.03 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 23.0 tttp -63.32 -53.74 47.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 26' ' ' ASN . . . -42.32 -61.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.463 ' O ' HG12 ' A' ' 27' ' ' VAL . 8.0 t-20 -37.73 -60.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.852 HD22 ' HB3' ' A' ' 10' ' ' TYR . 21.5 tp -41.93 -41.72 2.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 12.9 m-80 -61.75 -48.62 79.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -67.0 -38.4 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.674 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.0 t60 -60.69 -31.42 70.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.422 HD21 ' HD2' ' A' ' 13' ' ' PRO . 31.6 mt -73.95 -21.2 60.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.3 -35.18 79.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -72.78 -13.22 61.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -88.49 23.49 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.8 p -111.19 -178.9 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 42.29 -136.01 3.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.451 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -124.69 153.81 41.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.21 97.44 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.516 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 9.5 m-85 -88.45 106.29 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.82 152.31 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.4 t -72.95 139.47 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -86.95 12.62 10.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.439 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 3.4 m-85 -121.51 -31.1 4.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.3 p -145.85 -177.22 5.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 p -83.52 36.44 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.41 ' CG ' ' N ' ' A' ' 45' ' ' THR . 29.7 t80 -87.43 157.77 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.41 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.0 p -152.24 154.13 35.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 11.2 t -152.3 160.06 43.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -100.23 30.92 3.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.4 t -157.99 109.06 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 37' ' ' PHE . 3.5 ttpm? -48.8 -43.44 38.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.25 -49.71 75.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -58.95 -44.68 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.6 tp -45.32 -45.69 12.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -53.89 -50.81 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.5 t -53.49 -46.32 59.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.462 ' CE1' HG21 ' A' ' 59' ' ' VAL . 51.9 t60 -48.57 -42.49 33.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.423 HG23 ' HB2' ' A' ' 60' ' ' HIS . 49.2 mt -79.33 -26.03 12.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.094 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' C ' ' HB2' ' A' ' 61' ' ' LYS . 19.2 mt-10 -82.18 -9.06 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -119.72 -33.0 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.462 HG21 ' CE1' ' A' ' 55' ' ' HIS . 61.1 t -91.32 -65.73 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.439 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 23.5 m-70 -96.63 43.69 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HB2' ' C ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -90.99 128.17 36.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 tttp 63.81 55.04 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 tt -88.18 151.16 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 65' ' ' GLN . 32.8 mttm -86.95 77.32 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.535 ' HB3' HD22 ' A' ' 80' ' ' LEU . 1.2 tp60 -35.94 135.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -104.29 130.3 52.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.9 t -73.11 118.92 16.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.657 ' NH1' HD11 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -73.1 4.36 4.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 63.5 m-85 -104.42 -46.6 4.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.5 p -128.33 30.29 5.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 32.2 47.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -101.76 127.55 48.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -81.43 138.57 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.43 ' CD1' HD13 ' A' ' 80' ' ' LEU . 24.0 m-85 -133.63 114.29 13.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' TYR . 2.9 m -37.51 -48.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.52 150.51 38.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 78' ' ' LYS . 8.1 p -75.43 -41.76 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.428 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -41.31 -60.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -53.95 -50.58 66.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 65' ' ' GLN . 57.3 tp -44.91 -45.81 10.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.0 mm -46.78 -58.0 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 ttpt -59.25 -49.3 78.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -43.29 -37.22 2.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.657 HD11 ' NH1' ' A' ' 68' ' ' ARG . 24.8 mt -72.22 -41.52 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.169 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -72.12 -12.67 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -98.04 -45.43 6.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.88 -53.89 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.602 ' HB2' HG23 ' A' ' 84' ' ' ILE . 57.7 m-70 -95.43 51.35 1.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.38 124.04 87.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 101.5 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.616 2.21 . . . . 0.0 112.342 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -85.14 -11.55 54.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.2 m -60.09 154.39 19.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.785 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -159.6 175.9 12.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.823 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.34 145.72 13.41 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -105.55 78.42 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -123.31 162.09 23.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.31 -179.03 2.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 49.5 mttm 55.91 54.76 9.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.74 -41.86 3.93 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.276 . . . . 0.0 112.346 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.521 ' HB3' HD22 ' A' ' 25' ' ' LEU . 53.8 m-85 -68.32 120.34 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -112.1 150.47 30.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 15' ' ' CYS . 38.9 t -83.95 118.96 72.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.661 0.744 . . . . 0.0 110.858 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.536 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.0 Cg_endo -69.75 -3.0 11.12 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -109.19 -37.7 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -134.64 -175.33 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.8 m -90.31 38.81 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.751 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 41.3 t80 -90.57 155.95 18.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -150.19 148.89 29.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.1 170.89 15.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.96 -32.76 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.111 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.7 mt -92.85 147.91 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -70.14 -50.71 37.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.03 -33.51 52.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.424 ' O ' HG12 ' A' ' 27' ' ' VAL . 18.3 m-20 -57.64 -64.42 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.521 HD22 ' HB3' ' A' ' 10' ' ' TYR . 40.8 tp -40.32 -36.52 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' HA ' HD12 ' A' ' 29' ' ' LEU . 37.1 m-80 -66.26 -50.23 64.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -65.8 -34.99 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.751 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 52.9 t60 -64.87 -34.62 78.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.536 HD21 ' HD2' ' A' ' 13' ' ' PRO . 9.9 mt -70.26 -22.76 62.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -59.51 -24.38 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -78.7 -28.52 45.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 92.0 m-70 -82.28 22.41 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 47' ' ' LEU . 72.8 p -98.29 -174.64 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 150.81 31.91 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 14.1 mt-10 -159.48 145.17 15.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.39 . . . . 0.0 110.901 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.494 ' HE2' HD21 ' A' ' 47' ' ' LEU . 20.8 mmtt -110.77 99.4 8.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.583 ' CE2' ' HG2' ' A' ' 49' ' ' LYS . 21.7 m-85 -96.56 95.1 7.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.84 143.8 54.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 52' ' ' LEU . 53.6 t -64.9 138.35 58.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -85.26 18.07 2.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.1 m-85 -127.01 -32.35 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.7 p -144.51 -175.0 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.2 t -83.95 36.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 45' ' ' THR . 25.8 t80 -86.27 157.9 19.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.417 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 16.9 p -151.97 154.27 35.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.1 t -153.08 160.86 42.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 47' ' ' LEU . 2.2 mm? -99.26 30.83 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.1 m -158.0 143.34 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.583 ' HG2' ' CE2' ' A' ' 37' ' ' PHE . 12.2 mttt -75.68 -49.17 19.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -56.65 -43.72 91.3 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -62.42 -50.36 71.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD22 ' CB ' ' A' ' 37' ' ' PHE . 14.7 tp -42.44 -44.53 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -59.03 -50.79 72.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.503 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 31.7 t -51.69 -42.8 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.401 ' CE1' HG21 ' A' ' 59' ' ' VAL . 37.6 t60 -51.16 -41.94 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mt -76.95 -22.37 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -86.07 -10.42 54.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 59' ' ' VAL . 12.4 ptt85 -114.66 -37.72 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' N ' ' HG2' ' A' ' 58' ' ' ARG . 69.5 t -88.43 -65.14 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -95.96 43.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 62' ' ' LYS . 0.2 OUTLIER -77.3 106.51 9.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 12.1 tppt? 75.06 57.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.409 HG23 ' OE1' ' A' ' 65' ' ' GLN . 9.2 tt -59.71 132.39 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -59.46 137.71 57.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.431 ' HB3' HD22 ' A' ' 80' ' ' LEU . 22.3 mm100 -116.53 121.31 41.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -112.4 132.37 55.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 15.0 t -58.89 158.82 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HD2' ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -105.8 -11.03 16.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.565 ' CE1' ' HD2' ' A' ' 68' ' ' ARG . 50.8 m-85 -88.9 -46.19 9.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 10.5 p -119.3 18.44 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? 40.64 42.37 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.464 ' HG2' ' CE2' ' A' ' 74' ' ' TYR . 10.1 tptt -89.38 112.71 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -74.77 130.16 38.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.464 ' CE2' ' HG2' ' A' ' 72' ' ' LYS . 32.7 m-85 -128.58 116.78 20.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.0 p -51.58 -52.62 45.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -102.25 135.88 43.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 78' ' ' LYS . 15.0 p -66.24 -40.69 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' N ' HG13 ' A' ' 77' ' ' VAL . 3.9 mppt? -42.85 -46.71 5.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -66.35 -52.27 48.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 65' ' ' GLN . 30.9 tp -44.29 -44.14 7.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.1 mm -53.85 -53.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -63.31 -29.39 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -64.64 -44.11 91.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 88' ' ' HIS . 76.5 mt -67.87 -45.28 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -65.69 -20.56 66.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -97.03 -66.51 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.62 -52.37 61.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' ILE . 41.5 m-70 -106.48 39.14 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 91' ' ' GLN . 1.5 p30 -45.78 126.34 6.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.621 0.724 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 13.47 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' A' ' 89' ' ' ASP . 8.9 mt-30 64.94 38.96 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.1 p -71.51 177.1 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -95.23 125.49 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.29 -133.97 1.79 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -91.44 45.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 p -157.17 161.43 39.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.931 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -179.99 150.24 9.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' HB3' ' N ' ' A' ' 19' ' ' SER . 11.7 mttm -126.43 91.21 48.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.559 0.695 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.1 Cg_endo -69.75 -37.26 9.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 49.0 m-85 -64.61 117.47 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -109.88 151.37 27.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' HA ' HD11 ' A' ' 25' ' ' LEU . 48.9 t -83.91 121.05 75.8 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.542 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.9 Cg_endo -69.79 2.07 3.88 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.331 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 28.3 mt-30 -115.33 -34.77 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 3.2 p -139.77 -175.07 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 t -88.8 35.51 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.744 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 33.7 t80 -85.61 154.26 21.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.962 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.96 157.32 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.062 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.506 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 1.0 OUTLIER -168.49 128.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.931 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -74.23 42.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.475 HG13 ' C ' ' A' ' 20' ' ' ALA . 72.2 mt -155.31 128.39 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -59.88 -60.35 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.32 -38.63 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.42 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.3 m120 -56.23 -66.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.433 HD11 ' HA ' ' A' ' 12' ' ' CYS . 25.7 tp -39.47 -38.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -65.06 -47.84 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -68.27 -38.48 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.744 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 49.6 t60 -64.55 -25.61 68.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.542 HD21 ' HD2' ' A' ' 13' ' ' PRO . 19.4 mt -82.49 -20.34 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -51.82 -44.34 63.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 20.0 pttt -67.8 -25.62 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.428 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 37.5 m-70 -75.53 -35.78 60.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.9 p -58.29 168.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.58 20.08 2.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -106.7 153.65 22.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -84.15 101.54 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 65.7 m-85 -93.96 109.18 20.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.48 151.53 25.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.6 t -78.43 136.0 37.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.88 22.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.458 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 1.7 m-85 -130.45 -35.42 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.962 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.0 p -140.79 -174.99 4.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.7 t -84.06 32.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -84.81 153.08 23.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.7 p -149.42 147.33 28.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -142.99 165.74 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.2 tp -96.65 -25.94 15.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.497 ' O ' ' C ' ' A' ' 49' ' ' LYS . 3.6 m -115.54 89.57 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.536 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -30.24 -40.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.484 ' N ' ' HD3' ' A' ' 49' ' ' LYS . . . -43.42 -51.71 6.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -67.29 -45.1 77.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.839 0.352 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD22 ' CB ' ' A' ' 37' ' ' PHE . 44.2 tp -45.61 -41.22 9.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -58.55 -43.63 89.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.84 -35.67 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.53 -38.65 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.887 HG23 ' HB2' ' A' ' 60' ' ' HIS . 22.9 mt -78.74 -36.07 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -73.33 -9.75 59.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.499 ' HG2' HG23 ' A' ' 59' ' ' VAL . 4.0 ptm180 -115.15 -32.78 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 58' ' ' ARG . 89.4 t -98.48 -61.48 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.887 ' HB2' HG23 ' A' ' 56' ' ' ILE . 81.6 m-70 -91.07 41.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -85.69 151.03 24.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? 61.11 54.96 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.3 tt -129.56 146.61 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.162 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.83 150.63 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 86.8 mm-40 -120.52 127.39 52.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -98.26 127.96 44.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 16.6 t -64.84 129.15 38.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -83.28 18.04 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.425 ' CE2' ' HD3' ' A' ' 68' ' ' ARG . 57.3 m-85 -119.62 -44.65 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 27.1 p -127.03 22.54 6.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.1 mptt 38.81 53.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -112.11 120.85 43.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -73.65 148.47 42.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -136.81 178.04 7.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.0 m -106.29 -50.91 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -105.43 106.8 17.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 81' ' ' ILE . 7.8 p -44.31 -34.22 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -57.44 -54.4 47.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.23 -32.68 72.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 65' ' ' GLN . 62.2 tp -59.81 -40.69 89.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 77' ' ' VAL . 35.7 mm -58.78 -50.8 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -40.1 90.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -48.92 -47.48 43.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.714 HG23 ' HB2' ' A' ' 88' ' ' HIS . 22.1 mt -67.31 -35.41 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -71.28 -23.7 62.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -94.81 -61.61 1.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.81 -52.18 18.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.714 ' HB2' HG23 ' A' ' 84' ' ' ILE . 55.8 m-70 -94.36 35.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.412 ' O ' ' CG ' ' A' ' 89' ' ' ASP . 2.4 p-10 -63.32 112.17 6.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 109.12 2.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.716 2.277 . . . . 0.0 112.363 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -108.19 82.88 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 38.6 t0 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -82.94 118.79 23.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.806 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -132.29 132.51 43.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.39 127.36 2.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -128.83 119.35 24.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.368 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -149.96 118.37 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.76 -142.26 13.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 8.3 mtmp? 60.68 54.56 3.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.55 0.69 . . . . 0.0 110.877 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 54.0 Cg_endo -69.75 -38.65 7.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 63.1 m-85 -70.7 133.03 46.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.06 149.66 48.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 15' ' ' CYS . 42.2 t -83.7 120.17 74.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.709 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.0 Cg_endo -69.79 -2.54 10.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.373 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -109.19 -35.62 6.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.8 p -136.54 -175.43 4.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -89.78 37.44 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.636 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 39.8 t80 -88.29 156.38 19.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -149.97 149.01 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.109 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -145.87 161.7 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.79 -28.25 16.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.4 mt -98.9 143.57 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -64.21 -50.47 67.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.74 -35.87 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.429 ' O ' HG12 ' A' ' 27' ' ' VAL . 9.8 m-20 -55.51 -60.9 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 10' ' ' TYR . 43.5 tp -43.28 -37.03 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -66.99 -54.3 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -59.7 -33.53 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.636 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 56.8 t60 -65.87 -50.6 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.709 HD21 ' HD2' ' A' ' 13' ' ' PRO . 14.2 mt -54.58 -29.39 51.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -55.5 -17.06 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.551 ' NZ ' ' CB ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -82.0 -20.94 37.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -88.12 21.84 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.6 p -100.34 175.74 5.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.32 -175.14 7.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -69.97 113.58 7.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.926 0.393 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -144.93 110.88 5.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CG ' ' HB3' ' A' ' 49' ' ' LYS . 78.0 m-85 -104.19 98.96 8.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.68 149.4 39.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.1 t -77.54 136.47 38.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.52 21.79 2.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.816 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.434 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.6 m-85 -129.52 -32.92 1.91 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.984 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.1 p -144.15 -175.0 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.2 m -83.41 30.86 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -82.26 155.37 24.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.1 p -150.29 153.69 36.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.61 170.09 21.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.65 -27.95 12.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.479 ' O ' ' C ' ' A' ' 49' ' ' LYS . 2.1 t -107.37 86.68 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.548 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -31.51 -38.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -49.14 -50.29 28.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.553 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -64.28 -43.37 94.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 46.1 tp -44.82 -44.63 9.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -54.09 -44.39 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.438 HG12 ' HD2' ' A' ' 58' ' ' ARG . 95.7 t -64.41 -38.65 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -54.23 -38.72 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.7 mt -79.36 -26.63 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 4.8 mm-40 -87.6 -9.57 53.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HD2' HG12 ' A' ' 54' ' ' VAL . 7.8 ptm180 -113.49 -39.81 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -90.99 -64.05 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -88.26 38.61 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.83 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 0.2 OUTLIER -78.88 120.73 23.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.2 tttm 75.0 57.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.1 tp -83.35 134.32 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' GLN . 16.3 pttp -100.09 49.1 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' LYS . 2.9 tp-100 -36.8 139.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -117.61 117.53 29.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.6 t -47.0 126.34 8.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HD2' ' CE2' ' A' ' 69' ' ' PHE . 0.6 OUTLIER -80.52 12.64 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.416 ' CE2' ' HD2' ' A' ' 68' ' ' ARG . 66.5 m-85 -115.86 -41.16 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.7 p -132.14 26.24 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 70' ' ' CYS . 26.2 mttm 35.06 54.63 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 54.3 tttt -101.67 122.28 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -77.82 133.57 38.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -128.48 133.18 48.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.6 t -61.02 -48.35 82.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -118.97 112.89 20.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.4 p -39.71 -46.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.51 ' N ' HG13 ' A' ' 77' ' ' VAL . 7.2 ptmt -35.78 -44.76 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.487 ' ND2' ' HG3' ' A' ' 78' ' ' LYS . 1.6 m120 -67.41 -48.26 67.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.6 tp -47.38 -41.43 19.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.3 mm -54.67 -57.01 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -60.64 -46.94 88.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -47.72 -47.69 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 88' ' ' HIS . 96.9 mt -62.71 -51.17 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -60.51 -21.89 62.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -88.7 -66.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.64 -52.1 23.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 84' ' ' ILE . 29.8 m-70 -101.73 42.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -45.99 129.98 7.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -179.53 3.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 62.24 42.3 9.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 m -74.0 -49.31 24.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.7 p -68.23 164.85 19.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.41 178.67 16.13 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -167.89 158.94 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.92 0.391 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 t -57.98 -58.46 8.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.47 133.27 2.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HA ' ' C ' ' A' ' 19' ' ' SER . 30.3 mttp 61.09 54.72 3.18 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.611 0.719 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 54.2 Cg_endo -69.68 -28.23 25.9 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.371 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' N ' ' HD1' ' A' ' 10' ' ' TYR . 2.3 m-30 -68.5 100.41 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -92.23 148.17 22.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -84.21 119.86 73.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.468 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.75 0.74 5.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.234 . . . . 0.0 112.338 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.425 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 24.1 mt-30 -113.05 -37.42 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -135.59 -173.76 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -90.2 37.88 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.602 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 55.1 t80 -90.11 147.75 23.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -135.31 149.4 49.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.46 ' C ' ' HA ' ' A' ' 8' ' ' LYS . 1.7 t -154.4 171.23 19.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.17 25.03 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.413 ' O ' ' HB2' ' A' ' 24' ' ' ASN . 69.0 mt -149.3 115.39 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.526 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 11.3 tttt -42.71 -52.04 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.14 -43.83 52.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.9 m-80 -59.64 -61.11 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.2 tp -44.03 -34.22 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 69.0 m-80 -67.87 -55.53 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -59.98 -32.54 50.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.602 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.7 t60 -71.25 -32.54 68.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.468 HD21 ' HD2' ' A' ' 13' ' ' PRO . 26.9 mt -74.98 -29.18 60.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.734 ' O ' HG23 ' A' ' 33' ' ' THR . 32.5 mtm180 -45.24 -50.42 11.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -62.06 -29.97 70.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 15' ' ' CYS . 55.9 m-70 -73.96 -18.48 60.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.734 HG23 ' O ' ' A' ' 30' ' ' ARG . 44.4 p -48.69 175.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 131.81 153.53 7.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.594 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 2.2 tp10 -33.52 118.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 0.0 110.845 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 34' ' ' GLY . 16.3 mttp -123.29 107.77 12.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.594 ' CZ ' ' HG2' ' A' ' 35' ' ' GLU . 78.9 m-85 -95.29 105.84 17.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -82.98 147.35 28.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.4 t -74.1 138.36 43.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -86.5 21.91 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -130.44 -32.41 1.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -145.04 -175.09 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.3 t -84.1 36.58 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 45' ' ' THR . 47.7 t80 -88.82 159.15 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.427 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.0 p -150.79 155.33 39.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.92 143.64 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.3 mt -77.19 -27.63 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 50' ' ' GLY . 94.6 p -109.94 88.07 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.546 ' HB3' ' CG ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -31.75 -37.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -51.14 -50.31 40.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -66.7 -38.96 87.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.482 HD22 ' HB3' ' A' ' 37' ' ' PHE . 18.3 tp -49.58 -32.73 13.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -66.06 -40.79 91.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.72 -36.03 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -54.13 -38.79 65.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.52 HG23 ' HB2' ' A' ' 60' ' ' HIS . 33.6 mt -77.09 -29.77 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -82.19 -10.08 59.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.532 ' HG2' HG23 ' A' ' 59' ' ' VAL . 2.4 ptm180 -113.33 -34.56 5.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 58' ' ' ARG . 97.5 t -95.18 -62.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.52 ' HB2' HG23 ' A' ' 56' ' ' ILE . 52.3 m-70 -93.91 45.98 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.64 122.39 32.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? 74.44 57.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.8 tt -119.0 153.86 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.32 93.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.424 ' CD ' ' HB ' ' A' ' 77' ' ' VAL . 2.1 mp0 -62.24 118.22 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -125.57 111.53 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.4 t -47.07 158.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 68' ' ' ARG . 0.2 OUTLIER -105.95 -19.19 13.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.501 ' HB2' ' CE1' ' A' ' 88' ' ' HIS . 79.5 m-85 -84.38 -53.33 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 71' ' ' LYS . 24.9 p -107.27 18.0 22.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 70' ' ' CYS . 20.5 mmmt 35.63 38.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -86.5 176.7 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 7.7 tttt -119.54 145.1 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 73' ' ' LYS . 31.7 m-85 -146.83 119.94 8.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 54.6 m -56.62 -53.85 52.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -99.71 132.01 45.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.424 ' HB ' ' CD ' ' A' ' 65' ' ' GLN . 10.2 p -68.2 -38.67 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -43.87 -50.6 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -63.02 -52.61 62.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.3 tp -42.56 -44.71 4.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.2 mm -52.26 -53.85 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -62.16 -48.75 78.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -44.39 -47.08 9.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.837 HG23 ' HB2' ' A' ' 88' ' ' HIS . 62.4 mt -63.14 -40.45 89.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.488 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -72.54 -12.29 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -96.86 -50.63 4.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -96.64 -53.57 3.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.837 ' HB2' HG23 ' A' ' 84' ' ' ILE . 47.7 m-70 -89.14 49.25 1.74 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.32 124.4 71.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.618 0.723 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 174.95 8.73 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -105.43 79.23 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 m -133.2 150.17 51.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -56.91 138.24 54.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.819 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.83 155.0 36.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 p -80.52 105.19 11.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.3 p -129.85 110.16 11.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.91 -116.5 4.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 28.2 mttt 63.32 52.95 1.6 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.699 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.83 -36.48 10.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 22' ' ' LYS . 41.8 m-85 -70.64 117.53 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -110.69 151.78 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HA ' HD11 ' A' ' 25' ' ' LEU . 52.7 t -82.65 121.21 77.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.45 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.75 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -111.01 -34.57 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 3.1 p -138.41 -174.99 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.5 m -89.01 35.41 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.735 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 58.1 t80 -86.57 146.5 26.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.54 137.14 36.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -131.07 143.06 50.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.57 -25.4 61.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 23' ' ' ALA . 55.2 mt -110.06 152.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -69.25 -45.05 70.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -53.75 -54.32 39.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.489 ' O ' HG12 ' A' ' 27' ' ' VAL . 6.0 t-20 -42.17 -46.75 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 10' ' ' TYR . 31.5 tp -55.76 -35.47 66.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.1 m-80 -66.96 -47.17 72.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -68.91 -34.11 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.735 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 37.2 t60 -67.43 -25.66 66.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.45 HD21 ' HD2' ' A' ' 13' ' ' PRO . 20.2 mt -81.1 -27.57 35.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 33' ' ' THR . 35.0 mtt85 -47.73 -45.25 28.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 28' ' ' HIS . 18.2 pttt -65.38 -34.91 79.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' THR . 38.8 m-70 -65.66 -30.06 70.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 30' ' ' ARG . 61.2 p -36.24 -40.85 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.66 111.51 3.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -83.92 140.93 31.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.94 0.4 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -105.98 99.66 9.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.549 ' CB ' HD22 ' A' ' 52' ' ' LEU . 1.9 m-85 -86.25 102.95 14.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.08 157.24 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.064 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 t -77.23 134.95 38.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -83.45 15.92 2.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.537 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 6.7 m-85 -124.16 -36.15 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -140.46 -175.29 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.3 m -84.79 36.41 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -88.72 156.46 18.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.3 p -151.02 153.95 36.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.8 t -148.88 160.53 43.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -101.08 33.64 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -165.13 105.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.519 ' HE2' ' CE2' ' A' ' 37' ' ' PHE . 7.5 ptpt -43.03 -47.73 5.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.85 -51.85 37.6 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -59.53 -46.95 87.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.549 HD22 ' CB ' ' A' ' 37' ' ' PHE . 22.4 tp -44.49 -44.84 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -55.81 -46.62 78.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.17 -41.68 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -51.46 -46.2 62.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.826 HG23 ' HB2' ' A' ' 60' ' ' HIS . 28.4 mt -75.38 -37.61 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -70.43 -12.06 61.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -113.49 -32.11 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.5 t -98.38 -60.35 2.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.826 ' HB2' HG23 ' A' ' 56' ' ' ILE . 30.3 m-70 -101.91 56.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.23 113.54 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.5 mttm 63.12 55.3 1.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.7 tt -105.52 139.25 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -123.04 93.44 3.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.733 HE22 ' N ' ' A' ' 77' ' ' VAL . 7.7 mt-30 -68.89 77.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.47 ' O ' ' CG ' ' A' ' 66' ' ' HIS . 13.6 p-80 -89.88 122.24 32.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 6.5 t -46.77 160.68 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -96.73 -9.25 29.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.44 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 2.1 m-85 -105.27 -62.11 1.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 72' ' ' LYS . 21.4 p -102.42 23.1 12.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.488 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 30.56 38.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 70' ' ' CYS . 16.9 ttmm -80.93 129.51 34.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -71.07 139.52 50.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.475 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 17.9 m-85 -132.91 164.35 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -105.33 -50.13 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -108.59 121.26 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.733 ' N ' HE22 ' A' ' 65' ' ' GLN . 11.2 p -49.68 -49.48 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.575 ' N ' HG13 ' A' ' 77' ' ' VAL . 1.6 mmmp? -36.49 -56.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -59.93 -51.93 67.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.9 tp -42.31 -40.02 2.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.2 mm -63.4 -58.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.456 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 25.8 ttmt -56.34 -39.49 72.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.475 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 8.4 t60 -49.09 -54.21 17.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.544 HG23 ' HB2' ' A' ' 88' ' ' HIS . 23.9 mt -55.56 -42.13 67.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.428 ' O ' ' HB2' ' A' ' 89' ' ' ASP . 25.6 mtm180 -77.41 -9.37 58.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.456 ' CG ' ' O ' ' A' ' 82' ' ' LYS . 54.3 m-20 -96.77 -40.54 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.2 -52.84 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.544 ' HB2' HG23 ' A' ' 84' ' ' ILE . 37.1 m-70 -89.33 48.64 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 85' ' ' ARG . 13.9 t70 -90.15 116.6 66.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.607 0.717 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 92.84 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.661 2.241 . . . . 0.0 112.32 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -116.29 112.56 21.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -137.97 158.73 43.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.937 0.399 . . . . 0.0 110.8 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -92.29 145.54 24.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.66 106.37 0.57 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -69.46 136.33 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.826 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -112.78 130.06 56.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' O ' ' CD ' ' A' ' 9' ' ' PRO . . . 166.66 155.76 9.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -105.56 73.37 0.26 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.635 0.731 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.461 ' CD ' ' O ' ' A' ' 7' ' ' GLY . 53.4 Cg_endo -69.76 -34.7 14.05 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.659 2.239 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.536 ' HB3' HD22 ' A' ' 25' ' ' LEU . 44.2 m-85 -67.09 120.55 13.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -111.41 151.35 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 15' ' ' CYS . 52.6 t -85.99 122.06 72.78 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.59 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.2 Cg_endo -69.79 1.05 4.81 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.531 ' HB2' ' CD2' ' A' ' 32' ' ' HIS . 12.3 mt-30 -112.3 -31.02 6.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.485 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.7 p -146.79 -175.01 4.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.7 m -87.41 35.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.749 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 19.2 t80 -89.16 153.89 20.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.9 158.26 39.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 t -157.54 132.21 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.46 -22.5 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.061 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.438 HG22 ' H ' ' A' ' 23' ' ' ALA . 5.2 mp -101.13 147.94 7.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -74.03 -42.58 60.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -55.73 -50.61 69.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -45.6 -40.11 8.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 10' ' ' TYR . 45.1 tp -62.83 -35.89 81.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -69.08 -45.29 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -70.59 -40.21 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.749 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 52.4 t60 -59.49 -34.65 72.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.59 HD21 ' HD2' ' A' ' 13' ' ' PRO . 22.6 mt -68.2 -28.25 67.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 34' ' ' GLY . 95.9 mtt-85 -54.45 -39.5 67.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -60.41 -36.94 79.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 14' ' ' GLN . 55.4 m-70 -66.0 -19.55 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.15 -70.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 30' ' ' ARG . . . -104.83 119.2 6.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.474 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 36' ' ' LYS . 28.1 tp10 -66.43 158.78 28.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 0.0 110.894 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 1.3 mmpt? -119.62 94.61 4.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -87.85 91.46 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.96 150.46 40.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.558 ' HA ' HD11 ' A' ' 52' ' ' LEU . 53.4 t -78.62 138.35 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -86.85 18.45 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.6 m-85 -127.44 -34.67 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 25.2 p -141.66 -174.96 4.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -83.46 32.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -82.81 155.53 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 16.4 p -152.34 154.95 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.173 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.0 t -153.95 178.65 9.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mp -116.17 28.7 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.8 p -166.1 106.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -44.34 -50.26 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -44.22 -46.92 8.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -69.89 -46.39 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.558 HD11 ' HA ' ' A' ' 39' ' ' CYS . 16.3 tp -48.66 -40.51 28.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -47.84 83.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 88.1 t -58.45 -40.63 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -51.73 -38.67 56.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.715 HG23 ' HB2' ' A' ' 60' ' ' HIS . 31.9 mt -79.22 -34.16 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.59 -11.44 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptt85 -112.0 -38.62 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 90.5 t -92.06 -62.89 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.715 ' HB2' HG23 ' A' ' 56' ' ' ILE . 50.0 m-70 -93.5 42.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.58 125.22 29.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt 62.26 54.99 2.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.0 tt -89.31 155.1 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 69.63 6.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.508 ' HG2' HG23 ' A' ' 77' ' ' VAL . 3.3 tp60 -54.31 111.96 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 17.4 p-80 -109.48 120.92 43.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.819 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.4 t -50.82 127.29 18.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.589 ' HD3' ' CZ ' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -82.78 21.21 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' A' ' 68' ' ' ARG . 24.7 m-85 -121.12 -54.94 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.68 12.17 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 mmtp 46.65 49.96 13.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -112.27 117.83 33.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 14.6 ptmt -90.05 136.81 32.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.406 ' HB3' ' OD1' ' A' ' 79' ' ' ASN . 12.0 m-85 -118.54 154.8 31.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 m -70.46 -52.49 21.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 78' ' ' LYS . 66.3 m-20 -116.68 106.43 13.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.508 HG23 ' HG2' ' A' ' 65' ' ' GLN . 14.4 p -33.41 -32.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 76' ' ' ASP . 25.7 mtmm -43.44 -55.98 3.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 80' ' ' LEU . 7.3 p30 -62.07 -48.24 81.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 65' ' ' GLN . 51.6 tp -45.24 -39.42 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 31.3 mm -56.42 -50.92 70.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -64.67 -43.54 93.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -50.33 -39.24 45.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.535 HG23 ' HB2' ' A' ' 88' ' ' HIS . 80.6 mt -70.2 -49.62 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 60.7 mtp85 -69.78 -11.85 61.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.84 -37.76 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -107.48 -52.62 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.535 ' HB2' HG23 ' A' ' 84' ' ' ILE . 37.7 m-70 -99.75 54.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -81.53 119.72 76.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 179.48 3.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.658 2.239 . . . . 0.0 112.397 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -79.25 45.3 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' GLN . 31.2 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -128.05 151.51 49.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -106.4 140.51 39.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.27 79.51 0.27 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -110.93 134.92 52.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.926 0.393 . . . . 0.0 110.804 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 t -140.87 171.57 13.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.77 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -176.89 -87.52 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.52 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.494 ' HB3' ' N ' ' A' ' 19' ' ' SER . 15.3 mtmm -118.03 85.3 23.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -28.53 24.91 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.662 ' HB3' HD22 ' A' ' 25' ' ' LEU . 2.1 m-30 -70.32 101.95 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -93.07 144.61 25.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -83.76 121.82 76.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.515 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.1 Cg_endo -69.76 1.28 4.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -111.9 -33.45 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 2.4 p -146.2 -175.01 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -86.74 35.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.732 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 45.9 t80 -85.56 153.41 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -147.77 151.99 36.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.494 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.6 OUTLIER -170.34 118.16 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -72.46 48.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.461 HG13 ' C ' ' A' ' 20' ' ' ALA . 78.2 mt -155.45 115.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.497 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 13.5 tppt? -46.53 -60.78 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.74 -47.96 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.0 m120 -52.27 -67.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 10' ' ' TYR . 22.8 tp -39.02 -40.73 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 66.1 m-80 -64.13 -54.57 31.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -61.06 -36.86 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.732 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 59.6 t60 -65.89 -30.9 71.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.515 HD21 ' HD2' ' A' ' 13' ' ' PRO . 13.6 mt -75.11 -25.99 58.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -65.94 -40.57 91.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -62.44 -27.44 69.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -65.13 -33.91 77.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.4 p -44.78 158.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.65 -145.37 17.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' HG3' ' CE2' ' A' ' 37' ' ' PHE . 3.9 pt-20 -83.71 129.41 34.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -130.87 102.24 5.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.612 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 24.3 m-85 -89.75 92.68 9.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.9 150.28 44.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.443 ' HA ' HD11 ' A' ' 52' ' ' LEU . 51.8 t -69.37 135.99 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.94 18.45 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 2.2 m-85 -127.2 -34.48 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.8 p -141.07 -177.11 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.9 t -84.71 36.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' CG ' ' N ' ' A' ' 45' ' ' THR . 16.1 t80 -90.67 157.5 17.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.422 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 19.6 p -148.49 156.55 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.8 t -150.92 153.37 35.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -96.49 36.59 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.67 107.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.832 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.612 ' HD3' ' CE2' ' A' ' 37' ' ' PHE . 0.0 OUTLIER -39.17 -50.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.16 -59.69 8.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -48.54 -48.44 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.486 HD22 ' CB ' ' A' ' 37' ' ' PHE . 24.4 tp -47.32 -44.71 23.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -57.16 -49.48 75.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.7 t -53.98 -43.57 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.5 t60 -50.83 -41.46 57.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.812 HG23 ' HB2' ' A' ' 60' ' ' HIS . 48.9 mt -77.92 -36.46 22.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.34 -9.32 58.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.815 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' HG2' HG23 ' A' ' 59' ' ' VAL . 4.9 ptm180 -117.31 -32.97 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.443 HG23 ' HG2' ' A' ' 58' ' ' ARG . 63.9 t -95.8 -63.22 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.812 ' HB2' HG23 ' A' ' 56' ' ' ILE . 52.0 m-70 -93.55 42.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -81.01 141.04 34.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? 62.0 55.25 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 8.7 tt -101.07 140.96 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -84.71 79.81 9.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.477 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 1.8 tt0 -59.32 109.58 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' A' ' 72' ' ' LYS . 15.9 p-80 -99.32 115.41 29.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 3.3 t -49.11 120.1 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.75 12.43 3.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.427 ' HB3' ' CE1' ' A' ' 88' ' ' HIS . 40.6 m-85 -110.64 -48.98 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -121.13 23.89 10.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt 38.89 49.27 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 66' ' ' HIS . 13.8 ttmt -99.8 173.57 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -121.84 126.72 49.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.512 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 9.4 m-85 -127.26 -28.98 2.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 76' ' ' ASP . 8.3 t 52.52 25.01 3.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.825 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.504 ' CG ' ' O ' ' A' ' 75' ' ' SER . 17.1 m-20 -164.3 105.17 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.61 HG13 ' N ' ' A' ' 78' ' ' LYS . 6.6 p -48.84 -55.09 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.61 ' N ' HG13 ' A' ' 77' ' ' VAL . 29.5 mttm -35.35 -60.13 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -62.99 -50.09 72.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.477 ' CD2' ' HG2' ' A' ' 65' ' ' GLN . 51.0 tp -46.28 -36.31 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 77' ' ' VAL . 47.0 mm -59.92 -63.28 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -50.07 -42.2 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.512 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 24.3 t60 -57.1 -60.16 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.543 HG23 ' HB2' ' A' ' 88' ' ' HIS . 89.5 mt -52.92 -44.7 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -68.13 -16.07 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -95.81 -66.66 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.89 -52.22 13.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.543 ' HB2' HG23 ' A' ' 84' ' ' ILE . 47.5 m-70 -91.84 34.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -56.67 111.23 3.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.572 0.701 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 91' ' ' GLN . 53.5 Cg_endo -69.76 97.22 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.68 2.253 . . . . 0.0 112.372 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 90' ' ' PRO . 9.6 mm100 33.18 44.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 m -96.74 123.0 40.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -144.66 113.01 6.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.59 60.39 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -77.08 136.0 38.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.89 0.376 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.8 t -150.05 163.06 39.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.88 -123.46 1.91 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.453 ' HA ' ' C ' ' A' ' 19' ' ' SER . 8.8 mtpm? 55.67 54.97 9.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.553 0.692 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 54.1 Cg_endo -69.74 -31.64 20.24 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 3.0 m-30 -57.59 99.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 9' ' ' PRO . 33.1 mmtp -92.79 151.53 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' CB ' ' HB3' ' A' ' 17' ' ' TYR . 41.7 t -89.09 120.35 69.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.622 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.8 Cg_endo -69.79 2.37 3.61 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -112.28 -33.6 6.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 p -142.29 -174.34 4.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -86.59 34.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.75 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 66.5 t80 -85.55 151.01 24.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -138.09 155.51 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.453 ' C ' ' HA ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -160.07 173.6 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.92 -27.21 7.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 23' ' ' ALA . 5.2 mp -100.65 134.99 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.511 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -55.77 -44.01 77.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -53.13 -49.96 65.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.069 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.547 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.1 t-20 -50.17 -60.21 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.5 tp -46.79 -44.62 19.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 71.1 m-80 -60.75 -53.2 60.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -64.1 -31.22 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.75 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 57.7 t60 -69.21 -35.28 76.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.622 HD21 ' HD2' ' A' ' 13' ' ' PRO . 10.6 mt -72.88 -20.46 61.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' HG23 ' A' ' 33' ' ' THR . 87.1 mtt-85 -59.07 -43.09 91.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -65.81 -19.36 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.549 ' HD1' HD11 ' A' ' 47' ' ' LEU . 54.1 m-70 -84.76 24.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 30' ' ' ARG . 27.1 p -91.6 146.9 23.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.03 -165.77 22.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.415 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.587 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 5.7 tp10 -49.19 121.13 4.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.967 0.413 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -115.78 105.16 12.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.587 ' CZ ' ' HG2' ' A' ' 35' ' ' GLU . 38.6 m-85 -90.66 109.12 20.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.22 155.92 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.2 t -82.39 138.15 34.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -87.3 23.08 1.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -130.55 -36.42 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.9 p -142.49 -175.02 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 t -82.6 36.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -87.87 152.04 22.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 14.6 p -147.18 152.99 39.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.188 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 t -152.64 156.65 39.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.549 HD11 ' HD1' ' A' ' 32' ' ' HIS . 68.2 mt -90.45 -27.47 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.7 m -100.28 100.68 11.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 6.6 ptpt -39.17 -48.82 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -53.95 -44.1 71.9 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -61.28 -39.64 91.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.333 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 37' ' ' PHE . 19.3 tp -54.61 -45.26 73.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HG2' ' N ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -56.25 -36.88 69.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.577 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 84.3 t -66.81 -44.3 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -52.06 -39.56 59.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.9 mt -79.01 -32.47 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 20.0 mm-40 -79.88 -10.56 59.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' HD2' HG12 ' A' ' 54' ' ' VAL . 6.1 ptm180 -112.67 -39.16 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 62.7 t -88.14 -67.06 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -88.3 39.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HD2' ' C ' ' A' ' 61' ' ' LYS . 1.0 OUTLIER -80.46 122.53 27.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.2 mttm 63.81 55.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 13.9 tt -90.76 141.43 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -89.47 105.5 17.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.636 ' HB3' HD22 ' A' ' 80' ' ' LEU . 13.2 mm100 -60.75 113.89 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -106.54 111.03 23.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 1.9 t -53.03 113.32 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -69.47 -2.69 11.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.483 ' CE2' ' HD3' ' A' ' 68' ' ' ARG . 75.7 m-85 -93.97 -64.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' LYS . 26.0 p -104.63 25.66 10.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER 36.25 45.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.487 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 12.4 ttmm -94.1 146.07 24.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -93.33 127.73 39.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.487 ' CE1' ' HG2' ' A' ' 72' ' ' LYS . 27.2 m-85 -129.17 134.09 47.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.6 m -76.73 -50.14 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.42 ' HB2' ' ND2' ' A' ' 79' ' ' ASN . 1.6 m-20 -106.95 133.11 52.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.3 p -66.25 -41.92 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.425 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -42.44 -47.39 4.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 76' ' ' ASP . 68.1 m-20 -67.44 -50.17 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 65' ' ' GLN . 59.3 tp -45.83 -44.41 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 28.5 mm -49.1 -54.43 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -60.79 -48.03 83.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -50.36 -47.57 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' HIS . 62.8 mt -61.44 -49.82 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -63.85 -17.68 63.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -90.84 -66.17 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.65 -52.03 14.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 84' ' ' ILE . 22.9 m-70 -99.44 42.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -53.57 126.69 48.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.7 68.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.641 2.227 . . . . 0.0 112.36 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -94.11 80.99 4.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -126.07 109.06 11.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.878 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 m -98.46 -44.98 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.8 -126.53 2.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.58 164.78 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -114.48 81.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . -119.86 173.38 15.16 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.99 89.89 47.32 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.1 Cg_endo -69.83 -35.78 11.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.448 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 32.7 m-85 -68.72 127.22 32.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -116.78 150.97 37.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.622 ' HA ' HD11 ' A' ' 25' ' ' LEU . 43.7 t -81.01 128.38 71.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.73 -11.38 30.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.715 2.276 . . . . 0.0 112.338 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -101.56 -41.6 6.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 7.8 p -132.83 -176.81 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -87.63 34.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 31.1 t80 -82.69 156.69 23.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' A' ' 17' ' ' TYR . . . -148.38 156.53 42.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.069 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 t -158.91 115.02 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . -45.08 -29.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.3 mt -92.32 142.64 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -71.71 -52.98 15.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -50.71 -37.05 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -52.91 -61.23 2.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.622 HD11 ' HA ' ' A' ' 12' ' ' CYS . 24.6 tp -41.2 -42.88 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.456 ' HA ' HD12 ' A' ' 29' ' ' LEU . 9.8 m-20 -58.58 -51.36 70.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.515 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -65.57 -42.09 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.121 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.585 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 43.0 t60 -51.89 -34.38 40.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.457 HD21 ' HD2' ' A' ' 13' ' ' PRO . 9.0 mt -70.75 -19.43 62.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.515 ' CG ' ' O ' ' A' ' 27' ' ' VAL . 13.3 mmm-85 -57.98 -39.67 78.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -72.73 -18.58 61.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -78.01 12.06 1.97 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -174.39 169.28 3.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' N ' ' OG1' ' A' ' 33' ' ' THR . . . 71.85 -157.22 52.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.496 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 0.8 OUTLIER -128.74 137.56 51.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.941 0.401 . . . . 0.0 110.856 -179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -127.93 99.87 5.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.622 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 6.3 m-85 -93.98 98.14 10.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.2 150.98 47.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.0 t -73.61 140.1 45.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -86.22 15.42 5.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.419 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.0 m-85 -124.19 -33.34 3.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 p -144.12 -175.38 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -85.0 35.48 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.434 ' CG ' ' N ' ' A' ' 45' ' ' THR . 51.3 t80 -88.3 159.26 18.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.434 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 12.8 p -149.63 150.28 31.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.155 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -142.72 152.85 42.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -95.21 32.51 1.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m -168.91 126.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.622 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 4.5 mttm -56.0 -63.66 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.61 -48.46 3.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -60.11 -55.43 33.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.554 HD22 ' HB2' ' A' ' 37' ' ' PHE . 20.9 tp -43.18 -41.38 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -57.68 -44.73 86.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.1 t -63.32 -42.2 95.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -47.01 -39.46 12.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.675 HG23 ' HB2' ' A' ' 60' ' ' HIS . 21.3 mt -78.51 -36.51 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.159 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -74.31 -10.0 59.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.428 ' HG2' HG23 ' A' ' 59' ' ' VAL . 2.7 ptm180 -113.26 -37.82 4.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' HG2' ' A' ' 58' ' ' ARG . 93.1 t -92.12 -63.19 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.056 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.675 ' HB2' HG23 ' A' ' 56' ' ' ILE . 72.3 m-70 -90.51 37.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' CD ' ' HG3' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -78.76 134.75 37.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' HG3' ' CD ' ' A' ' 61' ' ' LYS . 4.9 mtpm? 62.15 55.24 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.9 tt -104.27 137.97 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -49.88 -179.11 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.42 ' CB ' HD22 ' A' ' 80' ' ' LEU . 28.5 mt-30 -147.33 149.73 33.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 23.2 p-80 -119.05 116.05 25.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 7.4 t -48.87 156.88 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.513 ' HD3' ' CD1' ' A' ' 69' ' ' PHE . 0.1 OUTLIER -101.93 -7.1 22.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.513 ' CD1' ' HD3' ' A' ' 68' ' ' ARG . 8.2 m-85 -100.38 -58.57 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 71' ' ' LYS . 27.1 p -102.45 16.05 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 70' ' ' CYS . 18.9 mtpt 35.9 45.3 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -100.81 125.43 47.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -79.82 149.14 31.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 75' ' ' SER . 42.2 m-85 -137.78 115.08 11.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 74' ' ' TYR . 84.5 p -34.97 -51.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.858 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -119.92 137.33 54.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.1 p -60.86 -39.85 83.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -39.54 -51.89 2.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -63.93 -49.32 73.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.42 HD22 ' CB ' ' A' ' 65' ' ' GLN . 40.4 tp -45.36 -41.65 9.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.2 mm -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -62.39 -35.86 80.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -58.58 -39.26 79.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' HIS . 82.4 mt -73.04 -51.62 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -61.3 -21.07 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -97.06 -65.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.36 -52.02 51.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 84' ' ' ILE . 57.3 m-70 -102.83 41.47 1.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.83 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -53.84 125.65 47.9 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.702 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.433 ' HG2' ' CG ' ' A' ' 92' ' ' ASP . 54.1 Cg_endo -69.73 -169.35 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -65.69 -14.7 61.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.433 ' CG ' ' HG2' ' A' ' 90' ' ' PRO . 2.3 p30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 p -103.33 -60.86 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -121.01 81.66 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.55 81.63 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -150.41 156.38 41.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.7 p -112.15 111.84 23.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.7 -149.72 31.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 30.9 mttt 61.88 53.52 2.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.0 Cg_endo -69.77 -29.75 23.31 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.566 ' HB3' HD22 ' A' ' 25' ' ' LEU . 42.3 m-85 -77.06 131.23 38.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -118.44 150.71 39.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 15' ' ' CYS . 52.7 t -84.82 123.2 74.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.643 0.735 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.613 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.6 Cg_endo -69.78 -4.2 13.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.325 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' CD ' ' HB3' ' A' ' 32' ' ' HIS . 29.0 mt-30 -106.56 -37.77 6.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 9.2 p -138.33 -174.7 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -87.41 33.53 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.756 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 49.7 t80 -84.26 143.44 29.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 10' ' ' TYR . . . -136.35 137.48 40.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.5 p -129.37 143.83 51.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.99 -28.01 54.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 22' ' ' LYS . 32.1 mt -105.81 155.74 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.492 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 21.8 tptp -72.85 -52.17 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.9 -42.46 27.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.065 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' O ' HG12 ' A' ' 27' ' ' VAL . 9.4 t-20 -52.78 -66.22 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 10' ' ' TYR . 35.4 tp -38.63 -41.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 29.6 m-80 -61.92 -44.62 96.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.444 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.3 OUTLIER -71.25 -38.65 70.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.756 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 37.9 t60 -64.99 -18.85 65.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.613 HD21 ' HD2' ' A' ' 13' ' ' PRO . 37.3 mt -91.01 -23.52 20.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -57.52 -38.91 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -77.25 -14.15 59.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.414 ' HB3' ' CD ' ' A' ' 14' ' ' GLN . 14.6 m-70 -82.13 22.59 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.0 p -120.14 170.54 9.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.62 -154.24 16.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 11.6 tt0 -56.55 117.49 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.4 mttp -95.69 104.62 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.539 ' CB ' HD22 ' A' ' 52' ' ' LEU . 4.3 m-85 -93.44 97.9 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.97 152.12 42.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.93 135.95 37.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.72 18.19 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 60' ' ' HIS . 2.6 m-85 -126.16 -31.87 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -146.04 -175.13 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -83.8 34.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.425 ' CG ' ' N ' ' A' ' 45' ' ' THR . 45.4 t80 -86.24 158.87 19.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.425 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 14.6 p -150.67 153.84 36.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.491 ' C ' HD22 ' A' ' 47' ' ' LEU . 4.0 t -148.49 173.44 13.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.491 HD22 ' C ' ' A' ' 46' ' ' CYS . 4.3 mm? -117.22 36.87 4.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 p -174.6 105.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -37.94 -48.89 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.2 -59.88 6.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.52 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -54.84 -48.15 73.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.539 HD22 ' CB ' ' A' ' 37' ' ' PHE . 24.6 tp -48.79 -40.19 28.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.538 ' HG2' ' N ' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -60.54 -37.28 80.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.538 ' N ' ' HG2' ' A' ' 53' ' ' LYS . 87.8 t -67.0 -43.81 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.409 ' CE1' HG21 ' A' ' 59' ' ' VAL . 36.5 t60 -51.88 -37.89 53.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.06 -34.5 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -77.18 -9.85 59.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -113.81 -42.23 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.409 HG21 ' CE1' ' A' ' 55' ' ' HIS . 59.8 t -85.52 -64.97 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' A' ' 41' ' ' TYR . 19.8 m-70 -95.5 44.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.855 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.56 102.91 7.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' CD ' ' O ' ' A' ' 62' ' ' LYS . 0.4 OUTLIER 74.77 56.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.814 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.5 tt -60.87 135.43 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -40.02 157.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.635 ' HB3' HD22 ' A' ' 80' ' ' LEU . 30.3 mt-30 -128.69 97.62 4.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 44.1 p-80 -111.1 134.12 52.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.2 t -47.04 157.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.606 ' HD2' ' CD1' ' A' ' 69' ' ' PHE . 0.3 OUTLIER -101.9 -3.57 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.606 ' CD1' ' HD2' ' A' ' 68' ' ' ARG . 21.1 m-85 -105.6 -44.78 4.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' A' ' 71' ' ' LYS . 28.4 p -113.41 15.26 19.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 70' ' ' CYS . 6.4 mptt 34.76 54.52 0.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 66' ' ' HIS . 20.3 tttm -109.53 112.6 24.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 9.0 ptpp? -67.32 147.74 52.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -133.91 127.16 31.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.6 t -46.15 -42.44 13.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -129.94 158.66 38.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 78' ' ' LYS . 12.9 p -70.03 -46.34 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.535 ' N ' HG13 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -34.75 -62.69 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -53.38 -51.55 62.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.635 HD22 ' HB3' ' A' ' 65' ' ' GLN . 56.0 tp -47.38 -39.74 15.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 41.7 mm -59.73 -54.45 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.4 ttmt -63.44 -47.79 80.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -43.4 -44.52 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.559 ' O ' ' C ' ' A' ' 88' ' ' HIS . 51.8 mt -66.88 -42.32 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 89' ' ' ASP . 8.4 mmm180 -70.69 -12.8 61.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -97.53 -51.6 4.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.77 -53.2 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.559 ' C ' ' O ' ' A' ' 84' ' ' ILE . 15.8 m-70 -105.05 60.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 85' ' ' ARG . 0.1 OUTLIER -72.11 122.36 87.15 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.592 0.71 . . . . 0.0 110.894 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 178.39 4.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 70.46 42.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -98.83 171.0 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 110.837 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -70.5 80.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.06 -114.05 3.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -81.53 81.45 7.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.8 m -129.43 176.68 7.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.56 -146.41 0.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.423 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 12.6 mttp 62.1 54.85 2.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.563 0.697 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.3 Cg_endo -69.74 -44.17 2.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.308 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 32.9 m-85 -64.37 128.99 38.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -126.67 151.75 47.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 15' ' ' CYS . 50.8 t -86.07 125.61 67.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.627 0.727 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -11.09 30.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.484 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 30.8 mt-30 -96.47 -41.59 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' O ' ' A' ' 12' ' ' CYS . 11.5 p -134.77 177.37 7.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 t -82.18 40.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CB ' ' SG ' ' A' ' 15' ' ' CYS . 34.9 t80 -89.26 147.64 24.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.46 150.27 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 t -154.21 142.47 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.01 7.79 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.6 mm -124.67 119.47 56.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -53.4 -49.26 67.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 27' ' ' VAL . . . -54.64 -46.59 73.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.159 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -46.95 -60.79 2.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.7 tp -41.64 -47.07 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.564 ' HA ' HD12 ' A' ' 29' ' ' LEU . 6.5 m-20 -55.96 -51.02 69.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -63.24 -51.66 68.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -44.7 -47.67 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 26' ' ' ASN . 12.9 mt -51.36 -30.5 18.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -49.42 -29.58 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -73.43 -28.13 61.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.484 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 61.5 m-70 -80.1 21.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.8 p -101.25 171.1 7.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.57 55.97 2.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -133.7 169.92 16.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.967 0.413 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -89.34 98.72 11.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 49' ' ' LYS . 35.2 m-85 -94.62 95.25 8.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 144.56 54.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 45.1 t -70.33 139.03 51.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -87.71 21.34 2.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.408 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 2.3 m-85 -130.83 -32.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.4 p -144.24 -179.31 6.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.3 m -81.92 38.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -89.07 150.98 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.1 p -149.81 149.72 30.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.4 t -150.02 159.6 44.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.78 35.22 1.72 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.4 t -162.98 106.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 13.9 ptmt -46.77 -51.41 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.931 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.59 -53.91 8.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 51' ' ' HIS . 2.5 t-160 -53.81 -53.5 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.425 HD22 ' HB3' ' A' ' 37' ' ' PHE . 22.3 tp -40.54 -47.3 2.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp -53.36 -46.22 69.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.6 t -65.0 -41.14 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.403 ' O ' HG23 ' A' ' 59' ' ' VAL . 26.0 t60 -51.48 -39.81 58.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.587 HG23 ' HB2' ' A' ' 60' ' ' HIS . 18.1 mt -78.09 -39.76 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.22 -14.01 62.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' HG2' HG23 ' A' ' 59' ' ' VAL . 5.8 ptm180 -110.33 -37.75 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.429 HG23 ' HG2' ' A' ' 58' ' ' ARG . 63.6 t -90.72 -64.42 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.587 ' HB2' HG23 ' A' ' 56' ' ' ILE . 14.3 m-70 -99.24 54.35 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 148.19 25.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm 40.65 55.02 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.4 tt -74.05 150.17 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -100.43 122.06 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.551 ' HB3' HD22 ' A' ' 80' ' ' LEU . 17.6 mm-40 -101.08 138.91 37.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.553 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 33.2 p-80 -131.56 111.73 12.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 27.5 t -46.36 160.25 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -109.85 -18.68 13.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.448 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 45.8 m-85 -77.93 -56.09 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 20.1 p -107.57 -4.62 18.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 67' ' ' CYS . 39.0 mmtm 65.96 28.23 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 4.3 tptm -79.93 124.86 29.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -80.36 154.61 27.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.466 ' CE1' ' HG2' ' A' ' 72' ' ' LYS . 48.9 m-85 -151.18 131.61 13.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.4 t -61.12 -57.01 14.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.84 134.4 48.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 78' ' ' LYS . 9.6 p -60.02 -41.02 84.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' N ' HG13 ' A' ' 77' ' ' VAL . 7.8 mtpm? -39.42 -55.81 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.1 -52.29 65.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 65' ' ' GLN . 59.5 tp -42.52 -44.51 4.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 33.4 mm -52.97 -51.19 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -39.96 94.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -47.31 -47.74 25.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.843 HG23 ' HB2' ' A' ' 88' ' ' HIS . 38.2 mt -65.44 -47.66 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 89' ' ' ASP . 32.5 mmt-85 -53.79 -25.23 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -97.81 -66.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.7 62.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.843 ' HB2' HG23 ' A' ' 84' ' ' ILE . 44.2 m-70 -107.58 44.06 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.415 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . 37.6 p-10 -48.79 105.96 0.56 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.614 0.721 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 89' ' ' ASP . 53.4 Cg_endo -69.83 135.9 31.44 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.695 2.263 . . . . 0.0 112.324 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 92' ' ' ASP . 56.2 mm-40 -91.08 84.59 5.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLN . 18.9 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -107.57 140.83 39.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.901 0.382 . . . . 0.0 110.869 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -172.49 124.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.18 76.68 0.39 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.8 m -60.89 139.91 57.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.847 0.356 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -142.66 164.72 29.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 20' ' ' ALA . . . 127.76 163.91 11.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.537 ' HB3' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -148.31 105.08 3.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.5 Cg_endo -69.78 -44.51 2.02 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -59.94 101.6 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -94.46 151.14 19.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.937 179.875 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 15' ' ' CYS . 43.9 t -81.88 124.92 78.83 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' HD21 ' A' ' 29' ' ' LEU . 54.4 Cg_endo -69.73 -1.45 8.47 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.381 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -109.4 -33.96 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.448 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 14.6 p -141.15 -175.12 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.7 p -86.88 31.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 69.0 t80 -81.44 156.21 25.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 8' ' ' LYS . . . -145.78 148.93 33.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.537 ' N ' ' HB3' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -155.62 118.61 4.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 8' ' ' LYS . . . -79.0 31.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.454 HG13 ' C ' ' A' ' 20' ' ' ALA . 61.0 mt -152.68 105.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.535 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -33.9 -54.71 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.871 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.43 -47.92 18.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.079 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.47 ' O ' HG12 ' A' ' 27' ' ' VAL . 44.6 m-20 -55.37 -65.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 10' ' ' TYR . 22.8 tp -41.61 -37.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 68.9 m-80 -65.01 -48.13 75.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -69.64 -28.67 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.678 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 66.2 t60 -70.03 -40.21 75.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.809 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD21 ' HD2' ' A' ' 13' ' ' PRO . 12.6 mt -68.37 -18.33 64.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -57.53 -46.29 84.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.573 ' CE ' ' CE1' ' A' ' 28' ' ' HIS . 0.7 OUTLIER -65.77 -18.79 65.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -84.16 21.67 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.44 152.8 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.53 177.23 19.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -74.89 164.17 26.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' CE ' HD21 ' A' ' 47' ' ' LEU . 5.6 mmtp -97.67 98.25 9.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.404 ' CE2' ' HB3' ' A' ' 49' ' ' LYS . 22.0 m-85 -90.26 107.78 19.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.7 146.35 31.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.688 ' HA ' HD11 ' A' ' 52' ' ' LEU . 47.6 t -69.11 139.89 54.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -86.59 20.05 2.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -128.22 -34.89 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.9 p -140.87 -176.76 4.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.3 p -84.26 33.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -87.41 155.52 19.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 p -146.55 155.34 42.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.402 ' C ' HD22 ' A' ' 47' ' ' LEU . 2.5 t -147.28 169.89 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.451 HD21 ' CE ' ' A' ' 36' ' ' LYS . 4.0 mm? -109.52 36.03 3.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -172.21 105.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 8.3 pttt -41.08 -47.71 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.29 -51.58 35.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -58.24 -46.71 85.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.688 HD11 ' HA ' ' A' ' 39' ' ' CYS . 32.3 tp -44.15 -41.92 6.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -58.43 -46.79 85.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.9 t -58.33 -40.15 76.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 59' ' ' VAL . 33.2 t60 -52.91 -39.05 62.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 60' ' ' HIS . 23.9 mt -79.51 -30.78 13.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -77.8 -8.97 58.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 -117.41 -38.12 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.417 HG21 ' CE1' ' A' ' 55' ' ' HIS . 71.8 t -88.85 -65.4 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.515 ' HB2' HG23 ' A' ' 56' ' ' ILE . 14.1 m-70 -97.51 48.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -78.48 120.28 22.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.4 tttm 70.47 56.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 64' ' ' LYS . 3.2 tp -65.77 143.06 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' N ' HG13 ' A' ' 63' ' ' ILE . 9.5 mmpt? -99.96 112.96 25.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' HD22 ' A' ' 80' ' ' LEU . 54.6 mm-40 -96.46 100.82 12.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -104.99 110.93 23.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 22.7 t -47.85 123.65 6.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.512 ' CD ' ' H ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -83.65 25.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -120.68 -44.19 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 72' ' ' LYS . 5.9 p -129.0 8.71 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? 61.87 31.04 18.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 7.4 tptm -80.91 123.29 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.93 154.28 27.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -153.64 138.28 16.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.0 t -76.03 -44.82 37.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.6 123.25 46.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.0 p -50.44 -37.96 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -43.76 -46.66 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -67.04 -50.25 62.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 65' ' ' GLN . 52.2 tp -44.79 -41.82 7.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.79 -49.47 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -61.75 -42.22 98.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -52.11 -58.84 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.465 ' O ' ' C ' ' A' ' 88' ' ' HIS . 27.5 mt -49.52 -48.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -66.22 -12.68 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -95.43 -63.48 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.71 -50.64 9.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 84' ' ' ILE . 59.0 m-70 -95.44 46.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 89' ' ' ASP . 8.2 p30 -65.14 116.79 33.47 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.706 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 85.44 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.236 . . . . 0.0 112.347 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 92' ' ' ASP . 31.2 tp60 -97.16 99.48 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 91' ' ' GLN . 7.0 m-20 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -114.42 86.71 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -91.22 178.14 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.4 -71.96 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -49.87 166.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 p -73.96 145.63 44.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.17 -141.22 3.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 35.9 mtpt 58.62 53.46 5.02 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.6 Cg_endo -69.78 -38.22 8.04 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.328 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.512 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 35.5 m-85 -69.63 119.47 13.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -117.47 151.22 37.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' CYS . 18.2 t -82.04 117.68 69.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 0.51 5.51 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.709 2.273 . . . . 0.0 112.368 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -111.46 -34.94 5.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.483 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.1 p -136.05 -176.04 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.1 m -89.53 39.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.628 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 52.0 t80 -93.5 153.86 18.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.32 148.78 23.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.3 t -150.02 161.83 41.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.55 -32.06 24.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.4 mt -91.6 147.76 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.32 -47.64 33.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.76 -39.82 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.509 ' O ' HG12 ' A' ' 27' ' ' VAL . 3.6 m120 -52.8 -48.23 67.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.9 tp -54.7 -34.77 62.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -67.98 -46.64 70.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 24' ' ' ASN . 0.4 OUTLIER -69.68 -31.81 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.628 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 54.4 t60 -68.7 -52.59 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.33 -25.53 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.642 ' O ' HG23 ' A' ' 33' ' ' THR . 87.6 mtt180 -52.07 -43.47 63.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -55.67 -18.59 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -98.75 24.04 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 30' ' ' ARG . 44.8 p -99.5 -174.2 2.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.556 ' H ' HD12 ' A' ' 47' ' ' LEU . . . -106.54 -148.7 15.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.565 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -65.15 138.98 58.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.947 0.403 . . . . 0.0 110.902 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -107.04 100.79 10.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 22.7 m-85 -91.6 95.97 10.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.29 149.26 48.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.74 137.43 45.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -85.02 20.72 1.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -128.94 -34.44 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.0 p -143.21 -175.71 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.2 t -83.96 37.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -89.8 157.26 18.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.6 p -150.76 152.63 34.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.4 t -151.94 155.21 37.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 35' ' ' GLU . 4.2 mm? -96.39 38.35 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -164.99 131.04 2.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 9.0 mtpt -63.45 -56.78 13.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -52.18 -47.38 55.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.55 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -57.74 -49.49 76.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.7 tp -45.63 -44.06 12.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.2 -52.39 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.489 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 83.3 t -49.73 -44.78 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -51.54 -39.19 57.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.3 mt -79.0 -27.19 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -83.96 -9.96 58.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.474 ' HG2' HG23 ' A' ' 59' ' ' VAL . 5.8 ptm180 -114.16 -37.88 4.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.474 HG23 ' HG2' ' A' ' 58' ' ' ARG . 91.5 t -89.73 -64.81 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -93.17 43.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.6 141.86 33.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 mmtm 55.03 55.05 8.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.6 tt -91.75 146.44 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -107.02 99.25 8.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.426 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 13.7 mm100 -56.56 121.33 9.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 73' ' ' LYS . 14.2 p-80 -112.3 117.83 33.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 5.0 t -47.85 157.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.529 ' HD3' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -103.13 -18.95 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.529 ' CD1' ' HD3' ' A' ' 68' ' ' ARG . 6.5 m-85 -87.51 -58.68 2.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 71' ' ' LYS . 29.6 p -99.68 16.92 21.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 70' ' ' CYS . 51.2 mmtt 33.95 39.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 70' ' ' CYS . 12.9 tttp -103.58 121.14 42.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 66' ' ' HIS . 0.0 OUTLIER -88.36 144.17 26.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.546 ' CD1' HD13 ' A' ' 80' ' ' LEU . 10.2 m-85 -120.86 135.03 55.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 74' ' ' TYR . 14.1 t -36.46 -53.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -123.21 151.25 42.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.527 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.9 p -63.57 -47.16 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.527 ' N ' HG13 ' A' ' 77' ' ' VAL . 9.8 mmmt -36.8 -55.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 -60.29 -52.59 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.546 HD13 ' CD1' ' A' ' 74' ' ' TYR . 57.6 tp -46.26 -44.38 16.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 51.5 mm -48.98 -55.26 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -61.53 -44.95 96.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -48.64 -41.03 29.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.458 ' O ' ' C ' ' A' ' 88' ' ' HIS . 88.7 mt -70.8 -48.6 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -64.89 -20.12 66.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -97.69 -66.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.57 -53.07 47.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.458 ' C ' ' O ' ' A' ' 84' ' ' ILE . 62.9 m-70 -100.97 39.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 91' ' ' GLN . 18.1 p-10 -52.19 116.19 8.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 14.42 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.294 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' A' ' 89' ' ' ASP . 18.6 mt-30 64.14 41.64 6.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -95.63 175.73 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.381 . . . . 0.0 110.875 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -48.66 148.55 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.17 69.96 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -105.22 81.82 1.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -112.64 78.45 1.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.99 -123.79 1.04 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 69.1 mttt 49.24 54.18 15.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.76 -34.35 14.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.236 . . . . 0.0 112.385 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 56.3 m-85 -73.48 117.9 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -113.19 147.49 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 15' ' ' CYS . 22.5 t -81.57 121.37 79.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.722 . . . . 0.0 110.849 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.79 -2.96 11.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -108.3 -36.72 6.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.9 p -138.17 -175.17 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 t -88.88 36.35 0.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.762 ' CD2' ' CE1' ' A' ' 28' ' ' HIS . 23.8 t80 -87.24 147.86 25.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.09 156.06 43.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 t -157.4 142.29 16.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.9 25.83 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.3 mt -147.55 140.54 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.453 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 19.6 tptm -64.86 -54.2 34.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.71 -40.42 40.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.047 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.402 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.6 m120 -53.74 -64.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 10' ' ' TYR . 26.5 tp -41.12 -37.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 22' ' ' LYS . 51.8 m-80 -66.34 -53.11 40.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' A' ' 28' ' ' HIS . 0.3 OUTLIER -61.79 -37.11 77.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.762 ' CE1' ' CD2' ' A' ' 17' ' ' TYR . 55.2 t60 -65.86 -35.9 81.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD21 ' HD2' ' A' ' 13' ' ' PRO . 19.2 mt -68.79 -30.36 68.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.507 ' O ' HG23 ' A' ' 33' ' ' THR . 39.1 mtp180 -53.03 -32.49 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.806 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -71.23 -33.04 69.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' THR . 44.1 m-70 -68.19 -23.36 64.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 30' ' ' ARG . 54.6 p -34.15 140.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 35' ' ' GLU . . . 96.72 50.81 1.75 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' OE1' ' CE2' ' A' ' 37' ' ' PHE . 15.1 tt0 -37.03 154.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 110.892 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 14.7 mmtt -112.54 97.69 6.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.593 ' CZ ' ' HG2' ' A' ' 49' ' ' LYS . 12.0 m-85 -88.9 106.56 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.76 136.77 35.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.48 ' HA ' HD11 ' A' ' 52' ' ' LEU . 48.8 t -56.18 131.16 47.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -80.08 14.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.602 ' HB3' ' CE1' ' A' ' 60' ' ' HIS . 18.6 m-85 -124.24 -29.71 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' SG ' ' CB ' ' A' ' 44' ' ' PHE . 16.8 p -145.58 -175.22 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.5 m -84.67 28.52 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.446 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 29.8 t80 -79.78 151.72 30.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.0 p -143.59 154.05 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.8 t -153.35 173.55 15.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CD2' ' HE2' ' A' ' 36' ' ' LYS . 90.2 mt -113.58 34.49 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -167.3 124.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HG2' ' CZ ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -61.03 -53.6 55.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -47.52 -44.52 22.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.523 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -65.62 -50.53 64.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 39' ' ' CYS . 21.3 tp -42.25 -46.35 4.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.522 ' HD3' ' N ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -51.87 -50.81 60.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.522 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 59.2 t -51.58 -55.56 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.517 ' CE1' HG11 ' A' ' 59' ' ' VAL . 37.7 t60 -38.28 -47.65 1.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' A' ' 60' ' ' HIS . 59.7 mt -69.54 -42.32 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -71.6 -8.51 54.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 ptm85 -112.82 -29.79 7.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.591 ' CG1' ' N ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -113.33 -48.61 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.899 ' HB2' HG23 ' A' ' 56' ' ' ILE . 99.6 m-70 -97.03 42.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -82.51 151.03 26.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.449 ' HA ' HG12 ' A' ' 77' ' ' VAL . 15.8 tptm 69.52 56.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.43 HG22 ' O ' ' A' ' 60' ' ' HIS . 17.5 tt -154.75 156.06 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' ILE . 3.0 mppt? -36.38 106.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HB3' HD22 ' A' ' 80' ' ' LEU . 2.6 mm-40 -107.24 164.24 12.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 66' ' ' HIS . 36.1 p-80 -131.86 112.73 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 71' ' ' LYS . 3.8 t -46.76 158.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -107.47 -10.15 15.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB2' ' NE2' ' A' ' 88' ' ' HIS . 88.1 m-85 -93.57 -44.11 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' LYS . 25.1 p -122.06 20.04 10.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.871 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' CYS . 7.2 mptt 35.59 44.43 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -99.99 127.27 46.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 65' ' ' GLN . 28.0 mttp -83.25 142.9 30.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' OH ' ' CG ' ' A' ' 83' ' ' HIS . 26.7 m-85 -126.74 119.33 26.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 74' ' ' TYR . 13.3 p -37.07 -46.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -130.4 122.79 28.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 78' ' ' LYS . 7.8 p -42.26 -45.63 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.492 ' N ' HG13 ' A' ' 77' ' ' VAL . 4.3 mmmm -33.29 -50.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -66.71 -49.2 66.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.44 HD22 ' HB3' ' A' ' 65' ' ' GLN . 50.2 tp -46.29 -43.99 16.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.0 mm -52.96 -55.78 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -63.28 -46.36 87.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.488 ' CG ' ' OH ' ' A' ' 74' ' ' TYR . 5.8 t60 -45.19 -47.89 12.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 88' ' ' HIS . 75.2 mt -65.23 -40.15 87.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 89' ' ' ASP . 11.1 mmm180 -63.37 -25.83 68.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -95.71 -66.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.44 65.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.542 ' HB2' HG23 ' A' ' 84' ' ' ILE . 23.2 m-70 -106.94 41.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' ARG . 0.4 OUTLIER -55.17 113.57 5.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.863 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.78 36.98 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.252 . . . . 0.0 112.352 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -91.2 97.44 11.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 m -109.53 109.78 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -100.29 124.05 45.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.13 104.68 3.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.562 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 95.1 p -124.91 -43.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 23.4 m -36.72 -48.42 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.55 -167.72 32.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.445 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 26.2 mttm 62.19 53.04 2.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.913 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 10' ' ' TYR . 53.8 Cg_endo -69.74 -37.43 9.23 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.249 . . . . 0.0 112.354 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.487 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 57.8 m-85 -71.57 131.77 43.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.961 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.76 150.77 44.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.42 119.27 75.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD2' HD21 ' A' ' 29' ' ' LEU . 53.3 Cg_endo -69.82 0.46 5.66 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.496 ' NE2' ' HB3' ' A' ' 32' ' ' HIS . 27.0 mt-30 -112.15 -35.63 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' ' CB ' ' A' ' 17' ' ' TYR . 1.9 p -135.63 -174.7 3.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m -89.74 36.42 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.755 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 60.2 t80 -89.07 155.85 19.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.4 138.34 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 p -130.65 158.61 39.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.26 -37.02 13.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.106 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.719 HG22 ' H ' ' A' ' 23' ' ' ALA . 4.3 mp -94.07 139.4 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -56.79 -37.56 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.719 ' H ' HG22 ' A' ' 21' ' ' ILE . . . -68.78 -38.96 80.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.79 ' O ' HG12 ' A' ' 27' ' ' VAL . 2.5 m120 -50.01 -54.69 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 10' ' ' TYR . 33.5 tp -47.75 -41.57 23.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 4.2 m-80 -62.44 -51.67 66.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.79 HG12 ' O ' ' A' ' 24' ' ' ASN . 2.2 p -61.15 -21.84 25.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.755 ' CE1' ' CG ' ' A' ' 17' ' ' TYR . 35.4 t60 -86.05 -23.37 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.846 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' HIS . 13.1 mt -83.51 -23.53 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.523 ' HG2' ' C ' ' A' ' 27' ' ' VAL . 7.9 mmm180 -42.02 -52.81 4.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.33 -23.08 66.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.496 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 32.3 m-70 -82.38 23.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 30' ' ' ARG . 41.3 p -94.54 179.45 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.125 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.24 -121.29 1.67 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.541 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.502 ' O ' HD13 ' A' ' 47' ' ' LEU . 9.8 mt-10 -87.46 139.25 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -109.29 100.04 9.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.88 ' HB2' HD22 ' A' ' 52' ' ' LEU . 2.5 m-85 -86.81 87.47 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.0 138.17 57.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.1 t -61.14 135.61 57.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -82.31 15.63 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.9 m-85 -126.55 -37.63 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.1 p -137.64 -176.66 4.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.8 m -83.72 36.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.426 ' CG ' ' N ' ' A' ' 45' ' ' THR . 21.6 t80 -86.23 158.29 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.426 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 17.1 p -151.44 152.35 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.456 ' C ' HD22 ' A' ' 47' ' ' LEU . 4.2 t -151.96 171.63 17.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 35' ' ' GLU . 4.1 mm? -114.26 34.68 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.9 t -159.66 126.71 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.575 ' HD3' ' CE1' ' A' ' 37' ' ' PHE . 15.3 mmtp -57.96 -65.36 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.927 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -43.62 -49.3 7.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -55.07 -51.98 64.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.88 HD22 ' HB2' ' A' ' 37' ' ' PHE . 38.1 tp -45.23 -46.11 12.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -57.92 -44.39 86.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.36 -42.43 90.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -49.2 -42.71 41.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.829 HG23 ' HB2' ' A' ' 60' ' ' HIS . 31.1 mt -76.05 -42.21 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.83 -13.45 61.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' HG2' HG23 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -110.6 -33.8 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 58' ' ' ARG . 85.5 t -98.2 -61.25 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.829 ' HB2' HG23 ' A' ' 56' ' ' ILE . 32.0 m-70 -99.3 56.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -95.9 159.5 14.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' LYS . 7.9 tptp 34.56 55.11 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.7 tt -95.53 142.09 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -38.58 152.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.6 ' OE1' HG23 ' A' ' 77' ' ' VAL . 24.4 mt-30 -134.64 130.48 36.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.524 ' O ' ' CD2' ' A' ' 66' ' ' HIS . 7.0 p-80 -98.29 129.24 45.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 4.2 t -63.71 125.67 25.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' CZ ' ' CZ ' ' A' ' 69' ' ' PHE . 4.1 ppt_? -81.57 20.08 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CZ ' ' CZ ' ' A' ' 68' ' ' ARG . 98.4 m-85 -123.41 -48.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 71' ' ' LYS . 28.6 p -123.35 24.86 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 70' ' ' CYS . 7.5 mmpt? 37.27 54.33 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -115.26 119.76 37.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -76.41 148.53 37.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -136.7 116.77 13.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -39.63 -45.18 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.18 136.57 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.6 HG23 ' OE1' ' A' ' 65' ' ' GLN . 7.3 p -63.68 -42.88 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.454 ' N ' HG13 ' A' ' 77' ' ' VAL . 32.2 mtmt -38.89 -53.23 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.02 -50.88 68.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD22 ' CB ' ' A' ' 65' ' ' GLN . 57.8 tp -44.7 -42.39 7.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 25.5 mm -55.98 -58.88 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -59.17 -46.47 88.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -44.77 -44.55 9.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 88' ' ' HIS . 37.3 mt -67.63 -50.99 55.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.2 mtp180 -63.1 -19.05 64.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.91 -65.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.2 -50.91 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.513 ' HB2' HG23 ' A' ' 84' ' ' ILE . 62.2 m-70 -93.99 36.34 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -55.8 110.85 2.54 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.592 0.71 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -174.16 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.3 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -79.05 83.78 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_